Basic information
- CAS
119290-10-7- Standard SMILES
CCCCCCCCOCCCCC(=O)O- InChIKey
LETKNKUAHDGLPM-UHFFFAOYSA-N- Molecular formula
- C13H26O3
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.18819469
Names & identifiers
- Preferred name
- Pentanoic acid, 5-(octyloxy)-
- IUPAC
- 5-octoxypentanoic acid
Names & synonyms
6-Oxamyristic acid6-OxaMyrPentanoic acid, 5-(octyloxy)-6-Oxatetradecanoic acid5-Octanoxypentanoic acid119290-10-75-(octyloxy)pentanoic acidO65-octoxypentanoic acid5-octyloxypentanoic acidSCHEMBL8087585DTXSID50152381
Show more names
LETKNKUAHDGLPM-UHFFFAOYSA-N
Database identifiers
- CAS
119290-10-7- PubChem CID
- 452109
- DTXSID
DTXSID50152381
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 157
Related reactions
4 records
Compound notes
Loading…