22310
  DSViewer          3D                             0

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.1351   -0.4748   -0.7241 O   0  0  0  0  0  0  0  0  0  1
    7.5928   -0.3987    0.6934 O   0  0  0  0  0  0  0  0  0  2
    5.2127   -0.3182    0.2467 C   0  0  3  0  0  0  0  0  0  3
    2.9772    0.0275    0.0290 C   0  0  3  0  0  0  0  0  0  4
    5.0575    1.1494    0.6553 C   0  0  0  0  0  0  0  0  0  5
    3.5088    1.3479    0.6697 C   0  0  0  0  0  0  0  0  0  6
    6.6090   -0.6418   -0.3119 C   0  0  0  0  0  0  0  0  0  7
    2.5569   -0.9897    1.1376 C   0  0  0  0  0  0  0  0  0  8
    6.8985    0.2460   -1.5378 C   0  0  0  0  0  0  0  0  0  9
    6.6571   -2.1216   -0.7302 C   0  0  0  0  0  0  0  0  0 10
    1.7621    0.2433   -0.8303 C   0  0  0  0  0  0  0  0  0 11
    1.0950    1.3949   -0.7779 C   0  0  0  0  0  0  0  0  0 12
    5.0397   -0.9564    1.1105 H   0  0  0  0  0  0  0  0  0 13
    5.4845    1.3285    1.6421 H   0  0  0  0  0  0  0  0  0 14
    5.5304    1.8103   -0.0711 H   0  0  0  0  0  0  0  0  0 15
    3.2199    2.2149    0.0756 H   0  0  0  0  0  0  0  0  0 16
    3.1388    1.4650    1.6883 H   0  0  0  0  0  0  0  0  0 17
    1.6982   -0.5989    1.6834 H   0  0  0  0  0  0  0  0  0 18
    3.3875   -1.1399    1.8274 H   0  0  0  0  0  0  0  0  0 19
    2.2914   -1.9412    0.6767 H   0  0  0  0  0  0  0  0  0 20
    5.9058   -2.3072   -1.4978 H   0  0  0  0  0  0  0  0  0 21
    6.4540   -2.7514    0.1360 H   0  0  0  0  0  0  0  0  0 22
    7.6454   -2.3560   -1.1257 H   0  0  0  0  0  0  0  0  0 23
    6.1479    0.0613   -2.3062 H   0  0  0  0  0  0  0  0  0 24
    7.8870    0.0106   -1.9323 H   0  0  0  0  0  0  0  0  0 25
    6.8656    1.2950   -1.2433 H   0  0  0  0  0  0  0  0  0 26
    1.4252   -0.5477   -1.5003 H   0  0  0  0  0  0  0  0  0 27
    8.4896   -0.6087    0.3320 H   0  0  0  0  0  0  0  0  0 28
    1.4289    2.1883   -0.1091 H   0  0  0  0  0  0  0  0  0 29
    0.2151    1.5441   -1.4037 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 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 10 23  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>
22310

> <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-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-ethenyl-5-methyl-2-oxolanyl)-2-propanol

> <PUBCHEM_IUPAC_NAME>
2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-ethenyl-5-methyl-oxolan-2-yl)propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(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

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCC(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>
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>
3  7  3
4  8  3

$$$$
