13,17,21-Trimethyltritriacontane
Basic information
- CAS
58668-38-5- Standard SMILES
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCC- InChIKey
VPNSAYIYZOPVGL-UHFFFAOYSA-N- Molecular formula
- C36H74
- Average molar mass
- 507 g/mol
- Monoisotopic mass
- 506.57905236
Overview
13,17,21-Trimethyltritriacontane is a diterpenoid.
Names & identifiers
- Preferred name
- 13,17,21-Trimethyltritriacontane
- IUPAC
- 13,17,21-trimethyltritriacontane
- English name
- 13,17,21-Trimethyltritriacontane
- Molecular formula
- C36H74
- Molecular weight
- 506.97
Names & synonyms
13,17,21-Trimethyltritriacontane58668-38-5DTXSID40338031RefChem:78382DTXCID20289118VPNSAYIYZOPVGL-UHFFFAOYSA-NSCHEMBL31508819CHEBI:165726LMFA11000236DB-238209Tritriacontane, 13,17,21-trimethyl-
Database identifiers
- CAS
58668-38-5- PubChem CID
- 545973
- DTXSID
DTXSID40338031- ChEBI
CHEBI:165726
Properties
Computed structural properties
- XLogP
- 18.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 30
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 558.3 · 558.3±17.0 °C(Predicted)
- Density
- 0.812 · 0.812±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 13,17,21-Trimethyltritriacontane is a diterpenoid.
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Related reactions
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Compound notes
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