Basic information
- CAS
62185-55-1- Standard SMILES
CCCCC(CCC)C(C)CCC- InChIKey
XSMMHKQHDCOSCO-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 4-Methyl-5-propylnonane
- IUPAC
- 4-methyl-5-propylnonane
- English name
- 4-Methyl-5-propylnonane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
4-Methyl-5-propylnonane62185-55-1DTXSID301337538RefChem:1071115DTXCID701767903Nonane, 4-methyl-5-propyl-4-Methyl-5-propylnonane #SCHEMBL11573934SCHEMBL31521525XSMMHKQHDCOSCO-UHFFFAOYSA-NLMFA11000704DB-358432
Database identifiers
- CAS
62185-55-1- PubChem CID
- 545604
- DTXSID
DTXSID301337538- Nikkaji
- J125.083C
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 96.2
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 216 · 216.0±7.0 °C(Predicted)
- Density
- 0.755 · 0.755±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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