1-Octanol, 2-pentyl-
Basic information
- CAS
94354-95-7- Standard SMILES
CCCCCCC(CO)CCCCC- InChIKey
SPFBHWHDOHCHHB-UHFFFAOYSA-N- Molecular formula
- C13H28O
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.21401551
Names & identifiers
- Preferred name
- 1-Octanol, 2-pentyl-
- IUPAC
- 2-pentyloctan-1-ol
- English name
- 2-pentyloctan-1-ol
- Molecular formula
- C13H28O
- Molecular weight
- 200.36
Names & synonyms
2-pentyloctan-1-ol1-Octanol, 2-pentyl-94354-95-7SCHEMBL5571263DTXSID20432187
Database identifiers
- CAS
94354-95-7- PubChem CID
- 9877667
- DTXSID
DTXSID20432187
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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