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Molecule
ID:129617
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₅H₅₀O₂
Molecular Mass
382.6633
Exact Mass
382.38108084
Charge
0
InChI
InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h3-24H2,1-2H3
InChIKey
ABTZKZVAJTXGNN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
9.949219
LogD (pH = 7.4)
9.949219
Log P
9.949219
Molar Refractivity
118.7313
Polarizability
47.58289
Polar Surface Area
26.3
Rotatable Bonds
23
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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Bioactivity
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Stearyl_heptanoate
PubChem
105242
Names and Identifiers
IUPAC name
octadecyl heptanoate
Synonyms
Stearyl heptanoate
Tegosoft SH
IUPAC Traditional name
stearyl heptanoate
Registration numbers
CAS Number
66009-41-4
Wikipedia Title
Stearyl_heptanoate
PubChem CID
105242
EC Number
266-065-4
PubChem SID
162223907
Molecule Details
Wikipedia
Stearyl_heptanoate
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PubChem Literature
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Bioactivity
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