Basic information
- CAS
49622-18-6- Standard SMILES
CCCCCCC(C)C(C)(C)CC- InChIKey
AVICXEDVKYYQCS-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 3,3,4-Trimethyldecane
- IUPAC
- 3,3,4-trimethyldecane
- English name
- 3,3,4-Trimethyldecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
3,3,4-TRIMETHYLDECANE49622-18-6Decane, 3,3,4-trimethyl-DTXSID90964304RefChem:90746DTXCID401392006AVICXEDVKYYQCS-UHFFFAOYSA-N3,3,4-Trimethyl-DecaneSCHEMBL28270250SCHEMBL29209888
Database identifiers
- CAS
49622-18-6- PubChem CID
- 39499
- DTXSID
DTXSID90964304- Nikkaji
- J144.877C
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 223.6 · 223.6±7.0 °C(Predicted)
- Density
- 0.756 · 0.756±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Decane, 3,3,4-trimethyl- (49622-18-6)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
SynZeal Research Pvt Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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