Basic information
- Standard SMILES
CC1(C)OCC(COCc2ccccc2)(C2CCCCC2)CO1- InChIKey
NHTWDPHZSACFEM-UHFFFAOYSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 5-Benzyloxymethyl-5-cyclohexyl-2,2-dimethyl-1,3-dioxane
- IUPAC
- 5-cyclohexyl-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxane
Names & synonyms
SCHEMBL9522337NHTWDPHZSACFEM-UHFFFAOYSA-N5-Benzyloxymethyl-5-cyclohexyl-2,2-dimethyl-1,3-dioxane
Database identifiers
- PubChem CID
- 19904438
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 344
Related reactions
3 records
Compound notes
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