6432240
  DSViewer          3D                             0

 42 42  0  0  0  0  0  0  0  0999 V2000
    8.0013   -0.2679    0.7489 O   0  0  0  0  0  0  0  0  0  1
    5.7082    0.1023   -0.2089 C   0  0  1  0  0  0  0  0  0  2
    7.2021   -0.4212   -0.4499 C   0  0  0  0  0  0  0  0  0  3
    4.9728   -0.6056    1.0249 C   0  0  0  0  0  0  0  0  0  4
    5.7513    1.6490    0.0912 C   0  0  0  0  0  0  0  0  0  5
    4.3891   -2.0570    0.8133 C   0  0  0  0  0  0  0  0  0  6
    7.8372    0.4089   -1.5858 C   0  0  0  0  0  0  0  0  0  7
    7.2676   -1.9033   -0.8717 C   0  0  0  0  0  0  0  0  0  8
    4.4125    2.4884    0.2691 C   0  0  0  0  0  0  0  0  0  9
    2.9841   -2.2451    0.0634 C   0  0  0  0  0  0  0  0  0 10
    3.1089    2.2475   -0.0822 C   0  0  0  0  0  0  0  0  0 11
    2.6196    1.0046   -0.7724 C   0  0  0  0  0  0  0  0  0 12
    1.9384    0.1186    0.2979 C   0  0  0  0  0  0  0  0  0 13
    1.9886   -1.3365   -0.1324 C   0  0  0  0  0  0  0  0  0 14
    2.6857   -3.6314   -0.4303 C   0  0  0  0  0  0  0  0  0 15
    2.0987    3.2933    0.2718 C   0  0  0  0  0  0  0  0  0 16
    5.1259   -0.0275   -1.1275 H   0  0  0  0  0  0  0  0  0 17
    5.6935   -0.6631    1.8406 H   0  0  0  0  0  0  0  0  0 18
    4.1424    0.0369    1.3177 H   0  0  0  0  0  0  0  0  0 19
    6.3170    1.7693    1.0151 H   0  0  0  0  0  0  0  0  0 20
    6.2976    2.1088   -0.7324 H   0  0  0  0  0  0  0  0  0 21
    5.1301   -2.6156    0.2415 H   0  0  0  0  0  0  0  0  0 22
    4.2817   -2.5020    1.8025 H   0  0  0  0  0  0  0  0  0 23
    7.2424    0.2997   -2.4926 H   0  0  0  0  0  0  0  0  0 24
    8.8511    0.0547   -1.7722 H   0  0  0  0  0  0  0  0  0 25
    7.8673    1.4592   -1.2959 H   0  0  0  0  0  0  0  0  0 26
    6.6742   -2.0515   -1.7738 H   0  0  0  0  0  0  0  0  0 27
    6.8718   -2.5275   -0.0705 H   0  0  0  0  0  0  0  0  0 28
    8.3033   -2.1799   -1.0692 H   0  0  0  0  0  0  0  0  0 29
    4.5603    3.4453    0.7698 H   0  0  0  0  0  0  0  0  0 30
    8.0504    0.6733    1.0332 H   0  0  0  0  0  0  0  0  0 31
    1.9020    1.2681   -1.5494 H   0  0  0  0  0  0  0  0  0 32
    3.4591    0.4711   -1.2182 H   0  0  0  0  0  0  0  0  0 33
    2.4602    0.2332    1.2480 H   0  0  0  0  0  0  0  0  0 34
    0.8992    0.4260    0.4141 H   0  0  0  0  0  0  0  0  0 35
    1.1128   -1.7020   -0.6684 H   0  0  0  0  0  0  0  0  0 36
    1.7121   -3.6414   -0.9201 H   0  0  0  0  0  0  0  0  0 37
    2.6753   -4.3232    0.4120 H   0  0  0  0  0  0  0  0  0 38
    3.4529   -3.9373   -1.1417 H   0  0  0  0  0  0  0  0  0 39
    1.1119    2.9743   -0.0636 H   0  0  0  0  0  0  0  0  0 40
    2.3614    4.2324   -0.2152 H   0  0  0  0  0  0  0  0  0 41
    2.0861    3.4359    1.3524 H   0  0  0  0  0  0  0  0  0 42
  1  3  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  3  7  1  0  0  0
  3  8  1  0  0  0
  4  6  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  9  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 10  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 11  2  0  0  0
  9 30  1  0  0  0
 10 14  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6432240

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(1S,3Z,7Z)-4,8-dimethyl-1-cyclodeca-3,7-dienyl]-2-propanol

> <PUBCHEM_IUPAC_NAME>
2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9-/t14-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SDMLCXJKAYFHQM-LIJSYYTGSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC(=CCC(CC1)C(C)(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C/CC/C(=C\C[C@H](CC1)C(C)(C)O)/C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  17  6

$$$$
