Basic information
- CAS
51864-90-5- Standard SMILES
CCCC(CCC)C(O)CC- InChIKey
FQWBTHWBVNKOLD-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 4-Propylheptan-3-ol
- IUPAC
- 4-propylheptan-3-ol
- English name
- 4-Propylheptan-3-ol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
4-propylheptan-3-ol51864-90-5DTXSID00966192RefChem:1071485DTXCID701393841Propyl-4 heptanol-33-Heptanol, 4-propyl-BRN 2069709Propyl-4 heptanol-3 [French]SCHEMBL3162273SCHEMBL3163452SCHEMBL15545876
Show more names
FQWBTHWBVNKOLD-UHFFFAOYSA-NAKOS017850938
Database identifiers
- CAS
51864-90-5- PubChem CID
- 3040239
- DTXSID
DTXSID00966192- Nikkaji
- J395.426I
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
- 74.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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