Mrv1652306031607502D          

 17 19  0  0  0  0            999 V2000
   -0.0091   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    3.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767    3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    2.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800    2.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304    0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281    2.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6061    2.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361    2.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2744    1.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    1.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514    1.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
 11  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 14  3  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010819

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1(C)CCC23CC1C(C)(C)C2CCC3C

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3

> <INCHI_KEY>
HRGPYCVTDOECMG-UHFFFAOYSA-N

> <FORMULA>
C16H28O

> <MOLECULAR_WEIGHT>
236.399

> <EXACT_MASS>
236.214015522

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
28.97170259614332

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecane

> <ALOGPS_LOGP>
4.03

> <JCHEM_LOGP>
3.834656946333333

> <ALOGPS_LOGS>
-5.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.144504468807767

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
71.27770000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.67e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-

> <CAS>
19870-74-7

> <SYNONYMS>
Cedrol methyl ether

$$$$