Basic information
- CAS
15250-22-3- Standard SMILES
CC(C)CCCCC(C)CO- InChIKey
FNLOIWOIWFHQSI-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 2,7-Dimethyloctan-1-ol
- IUPAC
- 2,7-dimethyloctan-1-ol
- English name
- 2,7-Dimethyl-1-octanol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
2,7-dimethyloctan-1-ol15250-22-3DTXSID00934518RefChem:1060376DTXCID3013631652,7-DIMETHYL-1-OCTANOL1-Octanol, 2,7-dimethyl-2,7-Dimethyl-1-octanol #SCHEMBL811185AKOS017341534
Database identifiers
- CAS
15250-22-3- PubChem CID
- 27154
- DTXSID
DTXSID00934518- Nikkaji
- J121.201J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 78.9
Physicochemical properties
- Boiling point
- 69 · 69-69.5 °C(Press: 2 Torr)
- Density
- 0.8318 g/cm3 · 0.8318 g/cm3
- pka
- 15.04 · 15.04±0.10(Predicted)
- LogP
- 3.584 · 3.584 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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