Ethyl deca-2,4-dienoate

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCC=CC=CC(=O)OCC
InChIKey: OPCRGEVPIBLWAY-UHFFFAOYSA-N
Molecular formula: C12H20O2
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.14632988

Names & identifiers

Preferred name: Ethyl deca-2,4-dienoate
IUPAC: ethyl deca-2,4-dienoate

Names & synonyms

ethyl deca-2,4-dienoateDTXSID10859783RefChem:1085035DTXCID00809858Ethyl-2,4-decadienoateEthyl 2-trans-4-cis-decadienoate, sum of isomersAthyldecadienoat(2E,4Z)-Ethyl deca-2,4-dienoate(2E,4Z)-2,4-Decadienoic acid ethyl esterSCHEMBL258129PD148853

Database identifiers

PubChem CID: 81769
DTXSID: DTXSID10859783

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Related reactions

2 records

New reaction record

HRID 162915As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1114460As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…