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22047-49-0 molecular structure
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2-ethylhexyl octadecanoate

ChemBase ID: 294272
Molecular Formular: C26H52O2
Molecular Mass: 396.68988
Monoisotopic Mass: 396.3967309
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
InChI:
InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3
InChIKey:
OPJWPPVYCOPDCM-UHFFFAOYSA-N

Cite this record

CBID:294272 http://www.chembase.cn/molecule-294272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylhexyl octadecanoate
IUPAC Traditional name
2-ethylhexyl octadecanoate
Synonyms
2-Ethylhexyl stearate
CAS Number
22047-49-0
MDL Number
MFCD00072275
PubChem SID
180679803
PubChem CID
13132266

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD74694 Please log in.
Data Source Data ID
PubChem 13132266 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.314192  LogD (pH = 7.4) 10.314192 
Log P 10.314192  Molar Refractivity 123.2029 cm3
Polarizability 49.428974 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 23  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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