27866
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8803   -0.6852    0.7115 O   0  0  0  0  0  0  0  0  0  1
    4.9741    1.9196    0.0495 C   0  0  3  0  0  0  0  0  0  2
    3.6190    1.1858   -0.1353 C   0  0  0  0  0  0  0  0  0  3
    6.0394    1.1564   -0.6747 C   0  0  0  0  0  0  0  0  0  4
    3.8205   -0.3544   -0.1578 C   0  0  3  0  0  0  0  0  0  5
    6.1615   -0.2064    0.1220 C   0  0  0  0  0  0  0  0  0  6
    4.8409    3.3756   -0.4292 C   0  0  0  0  0  0  0  0  0  7
    2.5208   -1.0381    0.2089 C   0  0  0  0  0  0  0  0  0  8
    2.3509   -2.3637    0.1409 C   0  0  0  0  0  0  0  0  0  9
    1.0246   -2.9497    0.5251 C   0  0  0  0  0  0  0  0  0 10
    3.4570   -3.2848   -0.3128 C   0  0  0  0  0  0  0  0  0 11
    5.2624    1.9052    1.1105 H   0  0  0  0  0  0  0  0  0 12
    2.9567    1.4468    0.6901 H   0  0  0  0  0  0  0  0  0 13
    3.1686    1.5004   -1.0767 H   0  0  0  0  0  0  0  0  0 14
    5.7467    0.9732   -1.7086 H   0  0  0  0  0  0  0  0  0 15
    6.9839    1.7001   -0.6548 H   0  0  0  0  0  0  0  0  0 16
    4.1413   -0.6956   -1.1567 H   0  0  0  0  0  0  0  0  0 17
    6.8787   -0.0665    0.9308 H   0  0  0  0  0  0  0  0  0 18
    6.5296   -0.9707   -0.5625 H   0  0  0  0  0  0  0  0  0 19
    5.7930    3.8900   -0.2990 H   0  0  0  0  0  0  0  0  0 20
    4.0722    3.8818    0.1549 H   0  0  0  0  0  0  0  0  0 21
    4.5629    3.3881   -1.4831 H   0  0  0  0  0  0  0  0  0 22
    1.6856   -0.4229    0.5435 H   0  0  0  0  0  0  0  0  0 23
    1.0591   -4.0333    0.4121 H   0  0  0  0  0  0  0  0  0 24
    0.2462   -2.5423   -0.1201 H   0  0  0  0  0  0  0  0  0 25
    0.8034   -2.7001    1.5628 H   0  0  0  0  0  0  0  0  0 26
    3.1035   -4.3156   -0.2922 H   0  0  0  0  0  0  0  0  0 27
    4.3131   -3.1814    0.3540 H   0  0  0  0  0  0  0  0  0 28
    3.7544   -3.0235   -1.3284 H   0  0  0  0  0  0  0  0  0 29
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  7  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  8  1  0  0  0
  5 17  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
27866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
145

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAAAAAADRSggAICAAAABACAAiBCAAAAAAAgAAAACAAAAAgABAIAIQACEAAEgAAIIAOAQAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-2-(2-methylprop-1-enyl)oxane

> <PUBCHEM_IUPAC_NAME>
4-methyl-2-(2-methylprop-1-enyl)oxane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-2-(2-methylprop-1-enyl)oxane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
CZCBTSFUTPZVKJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCOC(C1)C=C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCOC(C1)C=C(C)C

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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  7  3
5  8  3

$$$$
