2-Hydroxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate
Basic information
- CAS
1418543-90-4- Standard SMILES
C=CC(C)(O)COC(=O)C(C)=CC- InChIKey
QQSQGJPTALGCLH-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Overview
2-Hydroxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate has been reported in Artemisia annua with data available.
Names & identifiers
- Preferred name
- 2-Hydroxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate
- IUPAC
- (2-hydroxy-2-methylbut-3-enyl) 2-methylbut-2-enoate
Names & synonyms
DTXSID108733082-Hydroxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate1418543-90-4RefChem:87357DTXCID40820805(2-hydroxy-2-methylbut-3-enyl) 2-methylbut-2-enoate2-Hydroxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoic acid
Database identifiers
- CAS
1418543-90-4- PubChem CID
- 557909
- DTXSID
DTXSID10873308
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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