Basic information
- CAS
54833-48-6- Standard SMILES
CCC(C)CCCCC(C)CCCC(C)CCCC(C)C- InChIKey
ZZEQNXPBKOFTBG-UHFFFAOYSA-N- Molecular formula
- C21H44
- Average molar mass
- 296.6 g/mol
- Monoisotopic mass
- 296.3443014
Overview
2,6,10,15-tetramethylheptadecane is a long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 15. 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
- 2,6,10,15-Tetramethylheptadecane
- IUPAC
- 2,6,10,15-tetramethylheptadecane
- English name
- Heptadecane,2,6,10,15-tetr
- Molecular formula
- C21H44
- Molecular weight
- 296.57
Names & synonyms
2,6,10,15-TETRAMETHYLHEPTADECANECHEBI:84230RefChem:106017554833-48-6Heptadecane, 2,6,10,15-tetramethyl-2,6,10,15-tetramethyl-heptadecaneheptadecane, 2,6,10,15-tetramethylSCHEMBL9542319DTXSID6058635LMFA11000601heptadecane,2,6,10,15-tetramethyl-2,6,10,15-Tetramethylheptadecane #
Show more names
Heptadecane,2,6,10,15-tetrHEPTADECANE,2,6,10,15-TETRAMETHYL-,ORISOMER
DB-216744NS00096005Q27157600
Database identifiers
- CAS
54833-48-6- PubChem CID
- 41209
- DTXSID
DTXSID6058635- ChEBI
CHEBI:84230- Nikkaji
- J108.280I
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)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
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
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: 2,6,10,15-tetramethylheptadecane is a long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 15. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a heptadecane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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