3-Methylnonacosane
Basic information
- CAS
14167-67-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC- InChIKey
DCKPETUZJQNEBD-UHFFFAOYSA-N- Molecular formula
- C30H62
- Average molar mass
- 422.8 g/mol
- Monoisotopic mass
- 422.48515198
Overview
3-methylnonacosane has been reported in Solanum tuberosum, Hygrophila schulli, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-Methylnonacosane
- IUPAC
- 3-methylnonacosane
- English name
- 3-Methylnonacosane
- Molecular formula
- C30H62
- Molecular weight
- 422.81
Names & synonyms
3-MethylnonacosaneNonacosane, 3-methyl-DTXSID30931156RefChem:94932DTXCID701359871DCKPETUZJQNEBD-UHFFFAOYSA-N14167-67-0Nonacosane, 3-methylSCHEMBL201654SCHEMBL4406475SCHEMBL5984996SCHEMBL27161924
Show more names
LMFA11000399
Database identifiers
- CAS
14167-67-0- PubChem CID
- 85691
- DTXSID
DTXSID30931156- Nikkaji
- J142.008I
Properties
Computed structural properties
- XLogP
- 16.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 26
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 492 · 492.0±12.0 °C(Predicted)
- Density
- 0.806 · 0.806±0.06 g/cm3(Predicted)
- LogP
- 16.51 · 16.510 (est)
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Related reactions
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Compound notes
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