Basic information
- CAS
74645-98-0- Standard SMILES
CCC(C)CCC(C)CCCCC(C)C- InChIKey
JCJGCZBSINPZAJ-UHFFFAOYSA-N- Molecular formula
- C15H32
- Average molar mass
- 212.41 g/mol
- Monoisotopic mass
- 212.25040102
Overview
2,7,10-trimethyldodecane is an alkane that is dodecane substituted by methyl groups at positions 2, 7 and 10. It has a role as a human metabolite. It derives from a hydride of a dodecane.
Names & identifiers
- Preferred name
- 2,7,10-Trimethyldodecane
- IUPAC
- 2,7,10-trimethyldodecane
- English name
- DODECANE,2,7,10-TRIMETHYL-
- Molecular formula
- C15H32
- Molecular weight
- 212.41
Names & synonyms
2,7,10-Trimethyldodecane74645-98-0Dodecane, 2,7,10-trimethyl-DTXSID5058642CHEBI:84280RefChem:445880DTXCID90323292,7,10-Trimethyldodecane #SCHEMBL1270397JCJGCZBSINPZAJ-UHFFFAOYSA-NLMFA11000686NS00095960
Show more names
DODECANE,2,7,10-TRIMETHYL-
Q27157644
Database identifiers
- CAS
74645-98-0- PubChem CID
- 93447
- DTXSID
DTXSID5058642- ChEBI
CHEBI:84280- Nikkaji
- J121.081E
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 122 · 122-123 °C(Press: 14 Torr)
- Density
- 0.766 · 0.766±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Dodecane, 2,7,10-trimethyl- (74645-98-0)
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 2,6,10-Trimethyldodecane.
Chemistry & industry
Suppliers2 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
Additional notes
DefinitionChEBI: An alkane that is dodecane substituted by methyl groups at positions 2, 7 and 10.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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