529304
  DSViewer          3D                             0

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.0951    0.6690    1.1639 O   0  0  0  0  0  0  0  0  0  1
    7.5775   -1.3754    0.6384 O   0  0  0  0  0  0  0  0  0  2
    2.3974   -0.1719    0.1662 C   0  0  0  0  0  0  0  0  0  3
    3.6773    0.5059   -0.1454 C   0  0  3  0  0  0  0  0  0  4
    4.9537   -0.3505   -0.2451 C   0  0  0  0  0  0  0  0  0  5
    6.1558    0.5507    0.0868 C   0  0  0  0  0  0  0  0  0  6
    1.1426    0.4548   -0.4700 C   0  0  0  0  0  0  0  0  0  7
    2.4492   -1.6886    0.4358 C   0  0  0  0  0  0  0  0  0  8
    7.4871   -0.1928   -0.1543 C   0  0  3  0  0  0  0  0  0  9
    7.5772   -0.5919   -1.6402 C   0  0  0  0  0  0  0  0  0 10
    8.6409    0.7182    0.1713 C   0  0  0  0  0  0  0  0  0 11
    8.4908    2.0389    0.1242 C   0  0  0  0  0  0  0  0  0 12
    3.5897    1.3828   -0.8006 H   0  0  0  0  0  0  0  0  0 13
    4.9023   -1.1755    0.4654 H   0  0  0  0  0  0  0  0  0 14
    5.0558   -0.7463   -1.2556 H   0  0  0  0  0  0  0  0  0 15
    6.1226    1.4369   -0.5469 H   0  0  0  0  0  0  0  0  0 16
    6.0989    0.8495    1.1335 H   0  0  0  0  0  0  0  0  0 17
    0.7094   -0.2443   -1.1852 H   0  0  0  0  0  0  0  0  0 18
    1.4167    1.3762   -0.9838 H   0  0  0  0  0  0  0  0  0 19
    0.4123    0.6767    0.3082 H   0  0  0  0  0  0  0  0  0 20
    1.9099   -2.2166   -0.3505 H   0  0  0  0  0  0  0  0  0 21
    1.9871   -1.9028    1.3995 H   0  0  0  0  0  0  0  0  0 22
    3.4875   -2.0204    0.4494 H   0  0  0  0  0  0  0  0  0 23
    7.5097    0.3011   -2.2615 H   0  0  0  0  0  0  0  0  0 24
    6.7579   -1.2675   -1.8858 H   0  0  0  0  0  0  0  0  0 25
    8.5280   -1.0918   -1.8256 H   0  0  0  0  0  0  0  0  0 26
    9.6056    0.2925    0.4474 H   0  0  0  0  0  0  0  0  0 27
    8.4399   -1.8278    0.4508 H   0  0  0  0  0  0  0  0  0 28
    7.5277    2.4684   -0.1515 H   0  0  0  0  0  0  0  0  0 29
    9.3309    2.6917    0.3612 H   0  0  0  0  0  0  0  0  0 30
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  9  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6  9  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  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 12  2  0  0  0
 11 27  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
529304

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
186

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADFSggAICAAAABgCAACBCAAAAAAAgAAAIAAAAAAgABAIAAAACQAAEgAAAEAHA4FQMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-1-en-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(3,3-dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol

> <PUBCHEM_IUPAC_NAME>
5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-1-en-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-1-en-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O2/c1-5-10(4,11)7-6-8-9(2,3)12-8/h5,8,11H,1,6-7H2,2-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
SATQWIIUJKWZNO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
170.131

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O2

> <PUBCHEM_MOLECULAR_WEIGHT>
170.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(O1)CCC(C)(C=C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(O1)CCC(C)(C=C)O)C

> <PUBCHEM_CACTVS_TPSA>
32.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.131

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
9  2  3
4  13  3

$$$$
