6432254
  DSViewer          3D                             0

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.2178   -0.9484    0.4181 O   0  0  0  0  0  0  0  0  0  1
    7.0532   -0.7997    0.8751 O   0  0  0  0  0  0  0  0  0  2
    5.0967   -0.2757   -0.5234 C   0  0  1  0  0  0  0  0  0  3
    3.1761    0.0056    0.6741 C   0  0  2  0  0  0  0  0  0  4
    5.0305    1.2332   -0.1191 C   0  0  0  0  0  0  0  0  0  5
    4.0644    1.1838    1.0724 C   0  0  0  0  0  0  0  0  0  6
    6.5193   -0.8877   -0.4617 C   0  0  0  0  0  0  0  0  0  7
    2.2397   -0.4128    1.8227 C   0  0  0  0  0  0  0  0  0  8
    7.4509   -0.1454   -1.4358 C   0  0  0  0  0  0  0  0  0  9
    6.4399   -2.3717   -0.8614 C   0  0  0  0  0  0  0  0  0 10
    2.3917    0.3536   -0.5733 C   0  0  0  0  0  0  0  0  0 11
    1.0758    0.5811   -0.4982 C   0  0  0  0  0  0  0  0  0 12
    4.6935   -0.3660   -1.5450 H   0  0  0  0  0  0  0  0  0 13
    6.0096    1.6101    0.1767 H   0  0  0  0  0  0  0  0  0 14
    4.6342    1.8459   -0.9288 H   0  0  0  0  0  0  0  0  0 15
    3.4904    2.1062    1.1614 H   0  0  0  0  0  0  0  0  0 16
    4.5905    0.9910    2.0073 H   0  0  0  0  0  0  0  0  0 17
    1.4750    0.3507    1.9652 H   0  0  0  0  0  0  0  0  0 18
    2.8169   -0.5239    2.7406 H   0  0  0  0  0  0  0  0  0 19
    1.7634   -1.3618    1.5764 H   0  0  0  0  0  0  0  0  0 20
    7.0479   -0.2115   -2.4463 H   0  0  0  0  0  0  0  0  0 21
    8.4413   -0.5999   -1.4097 H   0  0  0  0  0  0  0  0  0 22
    7.5243    0.9018   -1.1423 H   0  0  0  0  0  0  0  0  0 23
    6.0376   -2.4555   -1.8710 H   0  0  0  0  0  0  0  0  0 24
    5.7885   -2.9014   -0.1662 H   0  0  0  0  0  0  0  0  0 25
    7.4371   -2.8107   -0.8307 H   0  0  0  0  0  0  0  0  0 26
    2.9006    0.4189   -1.5350 H   0  0  0  0  0  0  0  0  0 27
    7.1378    0.1426    1.1571 H   0  0  0  0  0  0  0  0  0 28
    0.5655    0.5162    0.4628 H   0  0  0  0  0  0  0  0  0 29
    0.5138    0.8314   -1.3980 H   0  0  0  0  0  0  0  0  0 30
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  7  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  8  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7  9  1  0  0  0
  7 10  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 23  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>
6432254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
186

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAADFSggAICAAAABgCAACBCAAAAAAAgAAAIAAAAAAgBBAIAIAACQAAEgAADIAGA4FQMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2S,5S)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2S,5S)-5-ethenyl-5-methyl-2-oxolanyl]-2-propanol

> <PUBCHEM_IUPAC_NAME>
2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2S,5S)-5-ethenyl-5-methyl-oxolan-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(2S,5S)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BRHDDEIRQPDPMG-WCBMZHEXSA-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(CCC(O1)C(C)(C)O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]1(CC[C@H](O1)C(C)(C)O)C=C

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.131

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
3  13  6
4  8  5

$$$$
