4,8-Dimethylheptacosane
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Basic information
- CAS
61295-60-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCC- InChIKey
SBHLCGPAXZLOLX-UHFFFAOYSA-N- Molecular formula
- C29H60
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.46950191
Names & identifiers
- Preferred name
- 4,8-Dimethylheptacosane
- IUPAC
- 4,8-dimethylheptacosane
- English name
- 4,8-Dimethylheptacosne
- Molecular formula
- C29H60
- Molecular weight
- 408.79
Names & synonyms
4,8-Dimethylheptacosane4,8-Dimethylheptacosne4,8-Dimethylheptacosane #SCHEMBL19179348SBHLCGPAXZLOLX-UHFFFAOYSA-NLMFA1100042761295-60-1Heptacosane, 4,8-dimethyl-
Database identifiers
- CAS
61295-60-1- PubChem CID
- 545629
Properties
Computed structural propertiesFilling in
- XLogP
- 15.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 24
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 476.1 · 476.1±12.0 °C(Predicted)
- Density
- 0.804 · 0.804±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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