Basic information
- CAS
51864-91-6- Standard SMILES
CCCC(CCC)C(C)O- InChIKey
JXZORDPWPPTAMR-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 3-Propylhexan-2-ol
- IUPAC
- 3-propylhexan-2-ol
- English name
- 3-Propyl-2-hexanol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
3-propylhexan-2-ol51864-91-6DTXSID60966193RefChem:1068540DTXCID4013938423-Propyl-2-hexanolBRN 30424882-HEXANOL, 3-PROPYL-SCHEMBL3153169SCHEMBL10897527SCHEMBL16599556JXZORDPWPPTAMR-UHFFFAOYSA-N
Show more names
AKOS013906527DB-315597
Database identifiers
- CAS
51864-91-6- PubChem CID
- 40152
- DTXSID
DTXSID60966193- Nikkaji
- J73.727E
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 65.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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