Mrv1652309272007432D          

 10  9  0  0  0  0            999 V2000
 9979.3155 9978.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9978.6025 9977.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9977.8878 9978.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9977.1735 9977.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9976.4570 9978.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9975.7426 9977.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9976.4570 9978.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9980.0307 9977.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9980.7458 9978.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9979.3155 9978.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB000573

> <DATABASE_NAME>
CDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3

> <INCHI_KEY>
UAHWPYUMFXYFJY-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.238

> <EXACT_MASS>
136.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.530537915576538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-methyl-3-methylideneocta-1,6-diene

> <ALOGPS_LOGP>
4.32

> <JCHEM_LOGP>
3.537100136666666

> <ALOGPS_LOGS>
-3.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
48.379

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.75e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-myrcene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000573

> <GENERIC_NAME>
beta-Myrcene

$$$$