Basic information
- CAS
20079-30-5- Standard SMILES
CC/C=C\C#CC(=O)c1ccc(/C=C/C(=O)OC)o1- InChIKey
NQZCQIDFBYCBAU-JHGYFVHDSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Overview
Wyerone is a heterocyclic fatty acid.
Names & identifiers
- Preferred name
- Wyerone
- IUPAC
- methyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate
Names & synonyms
WyeroneUNII-J61878UBBTJ61878UBBTmethyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate2-Furanacrylic acid, 5-(4-hepten-2-ynoyl)-, methyl ester, (E,Z)-2-Propenoic acid, 3-(5-(1-oxo-4-hepten-2-ynyl)-2-furanyl)-, methyl ester, (E,Z)-3-(5-hept-4-en-2-ynoyl-furan-2-yl)-acrylic acid methyl estermethyl (2E)-3-{5-[(4Z)-hept-4-en-2-ynoyl]-2-furyl}acrylate2-propenoic acid, 3-[5-[(4Z)-1-oxo-4-hepten-2-ynyl]-2-furanyl]-, methyl ester, (2E)-methyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]-2-furyl]prop-2-enoate2-PROPENOIC ACID, 3-(5-((4Z)-1-OXO-4-HEPTEN-2-YNYL)-2-FURANYL)-, METHYL ESTER, (2E)-methyl (2E)-3-(5-((4Z)-hept-4-en-2-ynoyl)-2-furyl)acrylate
Show more names
methyl (E)-3-(5-((Z)-hept-4-en-2-ynoyl)-2-furyl)prop-2-enoateMethyl (2Z)-3-(5-((4Z)-hept-4-en-2-ynoyl)furan-2-yl)prop-2-enoic acidMethyl (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acidmethyl (E)-3-(5-((Z)-hept-4-en-2-ynoyl)furan-2-yl)prop-2-enoateRefChem:195080InChI=1/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-920079-30-5C08465
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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