2,8-Dimethyl-6-(2-methylpropyl)nonan-4-ol
Basic information
- CAS
10143-20-1- Standard SMILES
CC(C)CC(O)CC(CC(C)C)CC(C)C- InChIKey
OTFAOIKIARLOEM-UHFFFAOYSA-N- Molecular formula
- C15H32O
- Average molar mass
- 228.41 g/mol
- Monoisotopic mass
- 228.24531564
Names & identifiers
- Preferred name
- 2,8-Dimethyl-6-(2-methylpropyl)nonan-4-ol
- IUPAC
- 2,8-dimethyl-6-(2-methylpropyl)nonan-4-ol
- English name
- 2,8-Dimethyl-6-(2-methylpropyl)-4-nonanol
- Molecular formula
- C15H32O
- Molecular weight
- 228.41
Names & synonyms
2,8-dimethyl-6-(2-methylpropyl)nonan-4-ol10143-20-1DTXSID50906184RefChem:1060407DTXCID8013352822,8-Dimethyl-6-(2-methylpropyl)-4-nonanol2,8-Dimethyl-6-isobutylnonanol-4BRN 17446304-NONANOL, 2,8-DIMETHYL-6-ISOBUTYL-4-01-00-01875 (Beilstein Handbook Reference)SCHEMBL283179364-Nonanol, 2,8-dimethyl-6-(2-methylpropyl)-
Database identifiers
- CAS
10143-20-1- PubChem CID
- 25004
- DTXSID
DTXSID50906184- Nikkaji
- J34.590C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 300.24 °C · 300.24°C (estimate)
- Density
- 0.8221 · 0.8221 (estimate)
- refractive index
- 1.4329 · 1.4329 (estimate)
- pka
- 15.21 · 15.21±0.20(Predicted)
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Compound notes
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