Mrv0541 02241212462D          

 11 11  0  0  0  0            999 V2000
   -1.1438   -0.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4293   -0.5303    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4293   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438   -1.7679    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8582   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438   -2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2852   -0.1179    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  6  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM026410

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)[C@@H]1C[C@H](O)[C@@H](C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7-11H,6H2,1-3H3/t8-,9-,10-/m0/s1

> <INCHI_KEY>
HHDDWVZSUIVNQG-GUBZILKMSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.006214662213416

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,5S)-2-methyl-5-(propan-2-yl)cyclohex-3-en-1-ol

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
2.3023514903333333

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.806861917683968

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1336785972050318

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.561899999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5S)-5-isopropyl-2-methylcyclohex-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
(-)-trans-Isomenth-5-en-2-ol

$$$$