Basic information
- CAS
3882-57-3- Standard SMILES
CCCCC#CC(=O)OCCC- InChIKey
ZRBPUEOLDSVZMI-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
Propyl 2-heptynoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Propyl hept-2-ynoate
- IUPAC
- propyl hept-2-ynoate
Names & synonyms
propyl hept-2-ynoatepropyl 2-heptynoate3882-57-3WE(3:0/7:1(2Y))NSC67261SCHEMBL31317635DTXSID40290185CHEBI:195797LMFA07010519NSC-67261
Database identifiers
- CAS
3882-57-3- PubChem CID
- 249200
- DTXSID
DTXSID40290185- ChEBI
CHEBI:195797
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…