Mrv1572004251603312D          

 36 37  0  0  1  0            999 V2000
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    0.1649   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641   -1.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8793    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5496    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649    1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649   -1.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5496   -0.7615    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1649    0.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9510    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3799    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365   -1.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3799   -0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3799    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654    1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654   -1.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510   -0.7615    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6654    0.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0543   -5.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1523   -4.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2641   -0.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  6  0  0  0
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 22 36  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM006931

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)C2CCC(C2)C1=C.[H][C@@]1(C)C[C@@]([H])(CCC1=C)C(C)C.[H][C@@]1(C)C[C@@]([H])(CC=C1C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/2C11H20.C10H16/c2*1-8(2)11-6-5-9(3)10(4)7-11;1-7-8-4-5-9(6-8)10(7,2)3/h5,8,10-11H,6-7H2,1-4H3;8,10-11H,3,5-7H2,1-2,4H3;8-9H,1,4-6H2,2-3H3/t2*10-,11-;/m11./s1

> <INCHI_KEY>
LLPXXXJSNSMISE-PHIZCRGKSA-N

> <FORMULA>
C32H56

> <MOLECULAR_WEIGHT>
440.8

> <EXACT_MASS>
440.438201803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
20.22174070603259

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,4R)-2-methyl-1-methylidene-4-(propan-2-yl)cyclohexane; (4R,6R)-1,6-dimethyl-4-(propan-2-yl)cyclohex-1-ene; 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

> <ALOGPS_LOGP>
5.10

> <JCHEM_LOGP>
3.854477559

> <ALOGPS_LOGS>
-3.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
51.251400000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,4R)-4-isopropyl-2-methyl-1-methylidenecyclohexane; (4R,6R)-4-isopropyl-1,6-dimethylcyclohex-1-ene; camphene

> <JCHEM_VEBER_RULE>
1

> <NAME>
NUTMEG OLEORESIN

> <CAS>
8007-12-3

$$$$