Ethyl 2-hydroxy-2,4-dimethylpent-4-enoate
Basic information
- CAS
10348-48-8- Standard SMILES
C=C(C)CC(C)(O)C(=O)OCC- InChIKey
VRFNBBGJZCALIP-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Ethyl 2-hydroxy-2,4-dimethylpent-4-enoate
- IUPAC
- ethyl 2-hydroxy-2,4-dimethylpent-4-enoate
Names & synonyms
ethyl 2-hydroxy-2,4-dimethylpent-4-enoateSCHEMBL12574804DTXSID40127268610348-48-8Ethyl 2-hydroxy-2,4-dimethyl-4-pentenoate
Database identifiers
- CAS
10348-48-8- PubChem CID
- 11062871
- DTXSID
DTXSID401272686- Nikkaji
- J1.662.943J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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