Basic information
- CAS
18344-37-1- Standard SMILES
CCCC(C)CCCC(C)CCCC(C)CCCC(C)C- InChIKey
CIGFWENQAXVDOM-UHFFFAOYSA-N- Molecular formula
- C21H44
- Average molar mass
- 296.6 g/mol
- Monoisotopic mass
- 296.3443014
Overview
2,6,10,14-tetramethylheptadecane is a long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 14. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a heptadecane.
Names & identifiers
- Preferred name
- 2,6,10,14-Tetramethylheptadecane
- IUPAC
- 2,6,10,14-tetramethylheptadecane
- English name
- 2,6,10,14-Tetramethylheptadecane
- Molecular formula
- C21H44
- Molecular weight
- 296.57
Names & synonyms
2,6,10,14-TETRAMETHYLHEPTADECANEHeptadecane, 2,6,10,14-tetramethyl-CHEBI:84229DTXSID80880746RefChem:83035DTXCID901022107CIGFWENQAXVDOM-UHFFFAOYSA-N18344-37-1WGE74YXN2LSCHEMBL15136442NS00095977Q27157599
Show more names
HEPTADECANE,2,6,10,14-TETRAMETHYL-2,6,10,14-Tetramethylheptadecane in isooctane
Database identifiers
- CAS
18344-37-1- PubChem CID
- 29036
- DTXSID
DTXSID80880746- ChEBI
CHEBI:84229- UNII
- WGE74YXN2L
- Nikkaji
- J108.281G
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 206
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physicochemical properties
- Boiling point
- 356.9 · 356.9±9.0 °C(Predicted)
- Density
- 0.787 · 0.787±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Additional notes
DefinitionChEBI: A long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 14. Metabolite observed in cancer metabolism.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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