Mrv0541 02241218292D          

 16 17  0  0  0  0            999 V2000
    0.0000    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135    0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431    0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282   -1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM028932

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CCC2(C)CCCC(=C)C2C1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3

> <INCHI_KEY>
MSJJKJCIFIGTJY-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.457566636753516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-ol

> <ALOGPS_LOGP>
3.54

> <JCHEM_LOGP>
3.694077806

> <ALOGPS_LOGS>
-4.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.18777520874662212

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
68.11789999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
10-Epijunenol

> <CAS>
62358-38-7

> <SYNONYMS>
Junenol

$$$$