Mrv0541 02241212472D          

 11 11  0  0  0  0            999 V2000
   -0.5893    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    2.1214    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  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025709

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=C)C1CCC(CC1)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h7,9-10H,1,3-6H2,2H3

> <INCHI_KEY>
AOVAKEPXEOVCEW-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.26066977100537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(prop-1-en-2-yl)cyclohexane-1-carbaldehyde

> <ALOGPS_LOGP>
3.12

> <JCHEM_LOGP>
2.4025012976666673

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.356083618845798

> <JCHEM_PKA_STRONGEST_BASIC>
-7.020512974988015

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
46.3962

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(prop-1-en-2-yl)cyclohexane-1-carbaldehyde

> <JCHEM_VEBER_RULE>
1

> <NAME>
8-p-Menthene-7-al

> <CAS>
137886-38-5

> <SYNONYMS>
(+/-)-cis- and trans-1,2-Dihydroperillaldehyde

$$$$