2,6,10-Trimethylpentadecane
Basic information
- CAS
3892-00-0- Standard SMILES
CCCCCC(C)CCCC(C)CCCC(C)C- InChIKey
LBWPYRZGHYVSEL-UHFFFAOYSA-N- Molecular formula
- C18H38
- Average molar mass
- 254.5 g/mol
- Monoisotopic mass
- 254.29735121
Overview
2,6,10-trimethyl-Pentadecane is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 2,6,10-Trimethylpentadecane
- IUPAC
- 2,6,10-trimethylpentadecane
- English name
- 2,6,10-TRIMETHYLPENTADECANE
- Molecular formula
- C18H38
- Molecular weight
- 254.49
Names & synonyms
2,6,10-TRIMETHYLPENTADECANE3892-00-0NorpristanePentadecane, 2,6,10-trimethyl-8A641H3BNBDTXSID90873301RefChem:445134Pentadecane, 2,6,10trimethylDTXCID40820800Nor-pristane2,6,10-trimethyl-pentadecaneUNII-8A641H3BNB
Show more names
SCHEMBL149832SCHEMBL9428032SCHEMBL9621895SCHEMBL109452522,6,10-Trimethylpentadecane #CHEBI:183307MFCD002161752,6,10-Trimethylpentadecane in isooctane
Database identifiers
- CAS
3892-00-0- PubChem CID
- 19775
- DTXSID
DTXSID90873301- ChEBI
CHEBI:183307- UNII
- 8A641H3BNB
- Nikkaji
- J1.058.271G
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 97.5 °C · 97.5 °C(Press: 0.8 Torr)
- Density
- 0.7845 g/cm3 · 0.7845 g/cm3
- FDA UNII
- 8 A641H3BNB · 8A641H3BNB
- EPA Substance Registry System
- 2 · Pentadecane, 2,6,10-trimethyl- (3892-00-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Heptadecane.
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2,6,10-trimethyl-Pentadecane is a sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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