Basic information
- CAS
54725-73-4- Standard SMILES
CC(C)(O)CCCCCCCO- InChIKey
RSVXEWNNIYHBNE-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 8-Methyl-1,8-nonanediol
- IUPAC
- 8-methylnonane-1,8-diol
- English name
- 8-Methyl-1,8-nonanediol
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
8-Methyl-1,8-nonanediol54725-73-48-methylnonane-1,8-diol1,8-Nonanediol, 8-methyl-8-Methyl-1,8-nonanediol #SCHEMBL14369450DTXSID90338228RSVXEWNNIYHBNE-UHFFFAOYSA-NDB-307493NS00095826
Database identifiers
- CAS
54725-73-4- PubChem CID
- 547734
- DTXSID
DTXSID90338228- Nikkaji
- J113.617H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 277.7 · 277.7±8.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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