Mrv1652309042019472D          

 11 11  0  0  0  0            999 V2000
   -1.0491    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0491    0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346    1.6848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4780    0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923    2.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326    2.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01373

> <DATABASE_NAME>
YMDB

> <SMILES>
CC1=CC[C@@H](CC1)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1

> <INCHI_KEY>
WUOACPNHFRMFPN-VIFPVBQESA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
19.068760635093753

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol

> <ALOGPS_LOGP>
3.17

> <JCHEM_LOGP>
2.1742975076666666

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.402266970394027

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8732484271496527

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.4619

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.56e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-α-terpineol

> <JCHEM_VEBER_RULE>
1

> <YMDB_ID>
YMDB01373

> <GENERIC_NAME>
2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol

> <SYNONYMS>
(+)-alpha-terpineol; (+)-p-menth-1-en-8-ol; (1R)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; (6R)-p-menth-1-en-8-ol; (r)-(+)-alpha-terpineol; (R)-2-(4-Methyl-3-cyclohexenyl)isopropanol; (R)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol; (R)-p-Menth-1-en-8-ol; (S)-(-)-p-Menth-1-en-8-ol; 1-alpha-terpineol; 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol; 2-(4-methylcyclohex-3-enyl)propan-2-ol (alpha-terpineol); 2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol; 3-Cyclohexene-1-methanol, &alpha; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, (S)-; alpha-terpinenol; alpha-terpineol; alpha-terpineole; alpha-terpinol; alpha,alpha,4-Trimethyl-3-Cyclohexene-1-methanol; L-alpha-terpineol; Menth-1-en-8-ol; p-Menth-1-en-8-ol; Terpenol; Terpineol; Terpineol schlechthin; Terpineol, alpha

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