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42232-82-6 molecular structure
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dodecyl icosanoate

ChemBase ID: 132771
Molecular Formular: C32H64O2
Molecular Mass: 480.84936
Monoisotopic Mass: 480.49063129
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
InChI:
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32(33)34-31-29-27-25-23-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKey:
GFFYHZLIDINABP-UHFFFAOYSA-N

Cite this record

CBID:132771 http://www.chembase.cn/molecule-132771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyl icosanoate
IUPAC Traditional name
dodecyl icosanoate
Synonyms
Eicosanoic acid dodecyl ester
Lauryl arachidate
Dodecyl arachidate
CAS Number
42232-82-6
MDL Number
MFCD00058479
PubChem SID
24891354
162227048
PubChem CID
5214900

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A8671 external link Add to cart Please log in.
Data Source Data ID
PubChem 5214900 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 13.0612  LogD (pH = 7.4) 13.0612 
Log P 13.0612  Molar Refractivity 150.9383 cm3
Polarizability 60.506657 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 30  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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