Mrv0541 02241212522D          

 25 25  0  0  0  0            999 V2000
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   -3.5458    0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479    1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479    1.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -0.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920    0.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887    0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3920   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592   -1.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8491   -1.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   -1.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920    1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    0.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
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 25 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
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  9 10  1  0  0  0  0
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 15 16  1  0  0  0  0
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  4 21  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026446

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCC(CC(O)CCC1=CC(OC)=C(OC)C=C1)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O5/c1-5-6-7-8-18(25-15(2)21)14-17(22)11-9-16-10-12-19(23-3)20(13-16)24-4/h10,12-13,17-18,22H,5-9,11,14H2,1-4H3

> <INCHI_KEY>
MVMCYBCRYZSVDR-UHFFFAOYSA-N

> <FORMULA>
C20H32O5

> <MOLECULAR_WEIGHT>
352.4651

> <EXACT_MASS>
352.224974134

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
41.19586962240656

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(3,4-dimethoxyphenyl)-3-hydroxydecan-5-yl acetate

> <ALOGPS_LOGP>
4.15

> <JCHEM_LOGP>
3.7673370093333336

> <ALOGPS_LOGS>
-4.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.165159875225548

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7265590705763456

> <JCHEM_POLAR_SURFACE_AREA>
64.99

> <JCHEM_REFRACTIVITY>
97.8815

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(3,4-dimethoxyphenyl)-3-hydroxydecan-5-yl acetate

> <JCHEM_VEBER_RULE>
0

> <NAME>
[6]-Gingerdiol acetate methyl ether

$$$$