Basic information
- Standard SMILES
O=C1CCCCC1CCC1OCCCO1- InChIKey
MHJLDUIRGRGVCZ-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- 2-[2-(1,3-Dioxan-2-yl)ethyl]cyclohexanone
- IUPAC
- 2-[2-(1,3-dioxan-2-yl)ethyl]cyclohexan-1-one
Names & synonyms
2-[2-(1,3-dioxan-2-yl)ethyl]cyclohexanoneSCHEMBL6969473MHJLDUIRGRGVCZ-UHFFFAOYSA-NAKOS0159068302-[2-([1,3]dioxan-2-yl)-ethyl]-cyclohexan-1-one
Database identifiers
- PubChem CID
- 10798604
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
1 records
Compound notes
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