3-Methyl-2-octanol
Basic information
- CAS
27644-49-1- Standard SMILES
CCCCCC(C)C(C)O- InChIKey
WQADSKJNOTZWML-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 3-Methyl-2-octanol
- IUPAC
- 3-methyloctan-2-ol
Names & synonyms
3-Methyl-2-octanol27644-49-1DTXSID50337378RefChem:1068199DTXCID402884663-methyloctan-2-ol2-Octanol, 3-methyl2-Octanol, 3-methyl-3-Methyl-2-octanol #SCHEMBL1658298SCHEMBL3946026SCHEMBL5687077
Show more names
SCHEMBL27576894AKOS011020520
Database identifiers
- CAS
27644-49-1- PubChem CID
- 542298
- DTXSID
DTXSID50337378
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 71.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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