2-Methylpropyl 3-hydroxy-2-methylidenebutanoate
Basic information
- CAS
80758-68-5- Standard SMILES
C=C(C(=O)OCC(C)C)C(C)O- InChIKey
YWLLUDSCDSOEDO-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Overview
2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is a 3-hydroxy carboxylic acid.
Names & identifiers
- Preferred name
- 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate
- IUPAC
- 2-methylpropyl 3-hydroxy-2-methylidenebutanoate
Names & synonyms
2-methylpropyl 3-hydroxy-2-methylidenebutanoateSCHEMBL31020114CHEBI:171944YWLLUDSCDSOEDO-UHFFFAOYSA-NDTXSID801253022Isobutyl 2-(1-hydroxyethyl)acrylate #Isobutyl 3-hydroxy-2-methylenebutanoate80758-68-52-Methylpropyl 3-hydroxy-2-methylenebutanoate
Database identifiers
- CAS
80758-68-5- PubChem CID
- 546207
- DTXSID
DTXSID801253022- ChEBI
CHEBI:171944- Nikkaji
- J581.905I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 173
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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