Basic information
- CAS
14167-66-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CC- InChIKey
NTRHFQVDDLHZMZ-UHFFFAOYSA-N- Molecular formula
- C28H58
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.45385185
Overview
3-methylheptacosane has been reported in Solanum tuberosum, Coptotermes formosanus, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-Methylheptacosane
- IUPAC
- 3-methylheptacosane
Names & synonyms
3-Methylheptacosane14167-66-9DTXSID70931155RefChem:1068306DTXCID001359870Heptacosane, 3-methyl-xi-3-MethylheptacosaneHeptacosane, 3-methyl3-Methyl-n-heptacosaneSCHEMBL5306242SCHEMBL5984186SCHEMBL21880038
Show more names
SCHEMBL27160666LMFA11000396
Database identifiers
- CAS
14167-66-9- PubChem CID
- 85690
- DTXSID
DTXSID70931155- Nikkaji
- J1.556.893C
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 24
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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