Mrv1652304272019262D          

 20 21  0  0  0  0            999 V2000
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   -2.7112   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8546   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1401   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4256   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006069

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCC1=C(CCCCC)C2=C(C=C1)C(C)CO2

> <INCHI_IDENTIFIER>
InChI=1S/C19H30O/c1-4-6-8-10-16-12-13-17-15(3)14-20-19(17)18(16)11-9-7-5-2/h12-13,15H,4-11,14H2,1-3H3

> <INCHI_KEY>
DPNAKERGBGGERD-UHFFFAOYSA-N

> <FORMULA>
C19H30O

> <MOLECULAR_WEIGHT>
274.448

> <EXACT_MASS>
274.229665586

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
35.58579624740695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-methyl-6,7-dipentyl-2,3-dihydro-1-benzofuran

> <ALOGPS_LOGP>
7.08

> <JCHEM_LOGP>
6.803827981666668

> <ALOGPS_LOGS>
-7.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.846237443122467

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
87.19279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.70e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-methyl-6,7-dipentyl-2,3-dihydro-1-benzofuran

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006069

> <GENERIC_NAME>
5-Hydroxy-7-n-pentyl-2H-methyl-6-n-Pentylbenzofuran

$$$$