Basic information
- CAS
6413-86-1- Standard SMILES
CC1(Cc2ccccc2)OCCCO1- InChIKey
UMYTWWPNSWDCHO-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 2-Benzyl-2-methyl-1,3-dioxane
- IUPAC
- 2-benzyl-2-methyl-1,3-dioxane
Names & synonyms
6413-86-12-benzyl-2-methyl-1,3-dioxaneNSC746581,3-Dioxane,2-methyl-2-(phenylmethyl)-SCHEMBL14779392DTXSID70291281NSC-74658DS-008337
Database identifiers
- CAS
6413-86-1- PubChem CID
- 252583
- DTXSID
DTXSID70291281
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…