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103213-57-6 molecular structure
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docos-13-en-1-yl acetate

ChemBase ID: 104972
Molecular Formular: C24H46O2
Molecular Mass: 366.62084
Monoisotopic Mass: 366.34978071
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)C
Canonical SMILES:
CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)C
InChI:
InChI=1S/C24H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h10-11H,3-9,12-23H2,1-2H3
InChIKey:
DFNNQVPOKYHPKD-UHFFFAOYSA-N

Cite this record

CBID:104972 http://www.chembase.cn/molecule-104972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
docos-13-en-1-yl acetate
IUPAC Traditional name
docos-13-en-1-yl acetate
Synonyms
ERUCYL ACETATE
CAS Number
103213-57-6
PubChem SID
162093077
PubChem CID
19833583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02157938 external link Add to cart Please log in.
Data Source Data ID
PubChem 19833583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.886762  LogD (pH = 7.4) 8.886762 
Log P 8.886762  Molar Refractivity 115.221 cm3
Polarizability 45.50164 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 21  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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