Basic information
- CAS
78816-19-0- Standard SMILES
COC(=O)C=C(C)C(OC)OC- InChIKey
XFJWNTZBOUURFO-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Methyl 4,4-dimethoxy-3-methylbut-2-enoate
- IUPAC
- methyl 4,4-dimethoxy-3-methylbut-2-enoate
Names & synonyms
Methyl 4,4-dimethoxy-3-methylbut-2-enoate78816-19-0DTXSID60822629
Database identifiers
- CAS
78816-19-0- PubChem CID
- 71401596
- DTXSID
DTXSID60822629
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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