2,2-Diethoxy-6-methyl-1,3-dioxan-4-one
Basic information
- CAS
116013-75-3- Standard SMILES
CCOC1(OCC)OC(=O)CC(C)O1- InChIKey
VPFMUGUUDXJBLP-UHFFFAOYSA-N- Molecular formula
- C9H16O5
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.09977361
Names & identifiers
- Preferred name
- 2,2-Diethoxy-6-methyl-1,3-dioxan-4-one
- IUPAC
- 2,2-diethoxy-6-methyl-1,3-dioxan-4-one
- English name
- 1,3-Dioxan-4-one,2,2-diethoxy-6-methyl-(9CI)
- Molecular formula
- C9H16O5
- Molecular weight
- 204.22
Names & synonyms
1,3-Dioxan-4-one, 2,2-diethoxy-6-methyl-1,3-Dioxan-4-one,2,2-diethoxy-6-methyl-(9CI)
Database identifiers
- CAS
116013-75-3- PubChem CID
- 45094014
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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