2-(2-Ethylhexoxy)ethyl prop-2-enoate
Basic information
- CAS
5459-39-2- Standard SMILES
C=CC(=O)OCCOCC(CC)CCCC- InChIKey
NZAZOEQPICNQIB-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- 2-(2-Ethylhexoxy)ethyl prop-2-enoate
- IUPAC
- 2-(2-ethylhexoxy)ethyl prop-2-enoate
- English name
- 2-(2-ethylhexoxy)ethyl prop-2-enoate
- Molecular formula
- C13H24O3
- Molecular weight
- 228.33
Names & synonyms
5459-39-22-(2-ethylhexoxy)ethyl prop-2-enoate2-[(2-ethylhexyl)oxy]ethyl prop-2-enoateNSC24174SCHEMBL2302481DTXSID90282090NSC-241742-Propenoic acid, 2-[(2-ethylhexyl)oxy]ethyl ester
Database identifiers
- CAS
5459-39-2- PubChem CID
- 229995
- DTXSID
DTXSID90282090- Nikkaji
- J799.574A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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