Decan-2-yl propanoate
Basic information
- CAS
55683-11-9- Standard SMILES
CCCCCCCCC(C)OC(=O)CC- InChIKey
HJQHFVTZMYPNGS-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Overview
2-decanyl propionate is a propanoate ester obtained by the formal condensation of propionic acid with decan-2-ol. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Decan-2-yl propanoate
- IUPAC
- decan-2-yl propanoate
- English name
- Propionic acid 1-methylnonyl ester
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
decan-2-yl propanoatePropionic acid 1-methylnonyl ester2-decanyl propionate55683-11-92-Decanol, propanoate1-Methylnonyl propionate #SCHEMBL8893981SCHEMBL13126847CHEBI:87386DTXSID90337877HJQHFVTZMYPNGS-UHFFFAOYSA-NH51407
Show more names
2-Decanol propionate2-Decanol, 2-propanoate
Q27159580
Database identifiers
- CAS
55683-11-9- PubChem CID
- 545250
- DTXSID
DTXSID90337877- ChEBI
CHEBI:87386- Nikkaji
- J108.926I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Chemistry & industry
Additional notes
DefinitionChEBI: 2-decanyl propionate is a propanoate ester obtained by the formal condensation of propionic acid with decan-2-ol. It has a role as a metabolite.
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