Basic information
- CAS
62185-53-9- Standard SMILES
CCCCC(CCCC)CC(C)C- InChIKey
RCOXMOQVMZTXOO-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 5-Isobutylnonane
- IUPAC
- 5-(2-methylpropyl)nonane
- English name
- 5-(2-Methylpropyl)nonane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
5-Isobutylnonane62185-53-9DTXSID30338020RefChem:1073026DTXCID102891075-(2-methylpropyl)nonane5-isobutyl-nonaneNonane, 5-(2-methylpropyl)-5-Isobutylnonane #5-(2-methylpropyl) nonaneSCHEMBL671342SCHEMBL1533838
Show more names
SCHEMBL8652843DB-358561
Database identifiers
- CAS
62185-53-9- PubChem CID
- 545936
- DTXSID
DTXSID30338020- Nikkaji
- J125.093K
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
- 86.2
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 210.9 · 210.9±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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