Basic information
- CAS
3508-77-8- Standard SMILES
C=CCC(CC=C)(C(C)=O)C(=O)OCC- InChIKey
IOZNORWPBHWYBA-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-2-allylpent-4-ene-1-oate
- IUPAC
- ethyl 2-acetyl-2-prop-2-enylpent-4-enoate
- English name
- ethyl 2-acetyl-2-allylpent-4-ene-1-oate
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
3508-77-8Ethyl 2-acetyl-2-allylpent-4-ene-1-oateethyl 2-acetyl-2-prop-2-enylpent-4-enoateEINECS 222-508-3AI3-30529KST3FP2U9H2-Acetyl-2-allylpent-4-enoic acid, ethyl esterSCHEMBL4740338DTXSID40188578ETHYL 2-ACETYL-2-(PROP-2-EN-1-YL)PENT-4-ENOATEEthyl 2-acetyl-2-allyl-4-pentenoateDB-220536
Show more names
2-Acetyl-2-allyl-4-pentenoic acid ethyl ester2-Acetyl-2-(2-propenyl)-4-pentenoic acid ethyl ester
NS00022082Ethyl 2-acetyl-2-(2-propen-1-yl)-4-pentenoate4-Pentenoic acid, 2-acetyl-2-(2-propenyl)-, ethyl ester4-Pentenoic acid, 2-acetyl-2-(2-propen-1-yl)-, ethyl ester
Database identifiers
- CAS
3508-77-8- PubChem CID
- 77045
- DTXSID
DTXSID40188578- UNII
- KST3FP2U9H
- EC Number
- 222-508-3
- Nikkaji
- J216.160E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Chemistry & industry
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…