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10482-79-8 molecular structure
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3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate

ChemBase ID: 287143
Molecular Formular: C19H26O2
Molecular Mass: 286.40854
Monoisotopic Mass: 286.19328007
SMILES and InChIs

SMILES:
O=C(OCCC(C)CCC=C(C)C)/C=C/c1ccccc1
Canonical SMILES:
CC(CCC=C(C)C)CCOC(=O)/C=C/c1ccccc1
InChI:
InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3/b13-12+
InChIKey:
KMXKQELDKDGFRN-OUKQBFOZSA-N

Cite this record

CBID:287143 http://www.chembase.cn/molecule-287143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
IUPAC Traditional name
3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
Synonyms
3,7-Dimethyloct-6-en-1-yl cinnamate
CAS Number
10482-79-8
PubChem SID
180672674
PubChem CID
6437720

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD121834 Please log in.
Data Source Data ID
PubChem 6437720 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.785946  LogD (pH = 7.4) 5.785946 
Log P 5.785946  Molar Refractivity 90.0538 cm3
Polarizability 34.664303 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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