Methyl 2,2,4-trimethylpent-4-enoate
Basic information
- CAS
71672-41-8- Standard SMILES
C=C(C)CC(C)(C)C(=O)OC- InChIKey
QGFIBZDCNFCSBJ-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Methyl 2,2,4-trimethylpent-4-enoate
- IUPAC
- methyl 2,2,4-trimethylpent-4-enoate
- English name
- 4-Pentenoic acid, 2,2,4-trimethyl- , methyl ester
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22214
Names & synonyms
methyl 2,2,4-trimethylpent-4-enoate71672-41-84-Pentenoic acid, 2,2,4-trimethyl- , methyl esterAKOS040813419F2147-6439
Database identifiers
- CAS
71672-41-8- PubChem CID
- 12512240
- Nikkaji
- J405.317F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
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Compound notes
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