7,9-Dimethylhexadecane
Basic information
- CAS
21164-95-4- Standard SMILES
CCCCCCCC(C)CC(C)CCCCCC- InChIKey
PKDYKLUCVOPIKK-UHFFFAOYSA-N- Molecular formula
- C18H38
- Average molar mass
- 254.5 g/mol
- Monoisotopic mass
- 254.29735121
Names & identifiers
- Preferred name
- 7,9-Dimethylhexadecane
- IUPAC
- 7,9-dimethylhexadecane
- English name
- HEXADECANE,7,9-DIMETHYL-
- Molecular formula
- C18H38
- Molecular weight
- 254.49
Names & synonyms
7,9-DimethylhexadecaneHexadecane, 7,9-dimethyl-21164-95-4SCHEMBL4276686SCHEMBL4276688DTXSID701357106HEXADECANE,7,9-DIMETHYL-
Database identifiers
- CAS
21164-95-4- PubChem CID
- 545945
- DTXSID
DTXSID701357106- Nikkaji
- J103.570C
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 297.9 · 297.9±7.0 °C(Predicted)
- Density
- 0.779 · 0.779±0.06 g/cm3(Predicted)
- LogP
- 9.952 · 9.952 (est)
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Related reactions
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Compound notes
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