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Molecule
ID:127347
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₄H₄₈O₂
Molecular Mass
368.63672
Exact Mass
368.36543078
Charge
0
InChI
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-22-24(25)26-23(6-3)21-19-8-5-2/h23H,4-22H2,1-3H3
InChIKey
GJQLBGWSDGMZKM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CC
Isomeric Smiles
O=C(OC(CCCCC)CC)CCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
9.55461
LogD (pH = 7.4)
9.55461
Log P
9.55461
Molar Refractivity
113.8711
Polarizability
45.73688
Polar Surface Area
26.3
Rotatable Bonds
21
Lipinski's Rule of Five
false
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Properties
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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Data Source
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Ethylhexyl_palmitate
PubChem
10474217
Names and Identifiers
Synonyms
Octyl palmitate
Ethylhexyl palmitate
IUPAC name
octan-3-yl hexadecanoate
IUPAC Traditional name
ethylhexyl palmitate
Registration numbers
PubChem CID
10474217
Wikipedia Title
Ethylhexyl_palmitate
Chemspider ID
8649628
Unique Ingredient Identifier
2865993309
CAS Number
29806-73-3
PubChem SID
162221668
Molecule Details
Wikipedia
Ethylhexyl_palmitate
References
PubChem Literature
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Bioactivity
PubChem BioAssay
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