2,6-Dimethylheptadecane
Basic information
- CAS
54105-67-8- Standard SMILES
CCCCCCCCCCCC(C)CCCC(C)C- InChIKey
RHDKKTYWDZUSCS-UHFFFAOYSA-N- Molecular formula
- C19H40
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.31300128
Overview
2,6-dimethylheptadecane is a branched alkane consisting of heptadecane bearing two methyl substituents at positions 2 and 6. It has a role as a fungal metabolite.
Names & identifiers
- Preferred name
- 2,6-Dimethylheptadecane
- IUPAC
- 2,6-dimethylheptadecane
- English name
- Heptadecane, 2,6-dimethyl-
- Molecular formula
- C19H40
- Molecular weight
- 268.52
Names & synonyms
2,6-DimethylheptadecaneHeptadecane, 2,6-dimethyl-CHEBI:132288DTXSID00866401RefChem:83319DTXCID40814688RHDKKTYWDZUSCS-UHFFFAOYSA-N54105-67-82,6-dimethyl heptadecane2,6-Dimethylheptadecane #SCHEMBL672089SCHEMBL28153715
Show more names
SCHEMBL28868927DB-326439NS00095920
Database identifiers
- CAS
54105-67-8- PubChem CID
- 545603
- DTXSID
DTXSID00866401- ChEBI
CHEBI:132288- Nikkaji
- J530.365F
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 318.1 · 318.1±9.0 °C(Predicted)
- Density
- 0.783 · 0.783±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2,6-dimethylheptadecane is a branched alkane consisting of heptadecane bearing two methyl substituents at positions 2 and 6. It has a role as a fungal metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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