Basic information
- CAS
93776-91-1- Standard SMILES
CCCCC1(CC)COC(Cc2ccccc2)OC1- InChIKey
ZRICRSADBZTBIN-UHFFFAOYSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Overview
See also: 1,3-Dioxane, 5-butyl-5-ethyl-2-(phenylmethyl)- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Benzyl-5-butyl-5-ethyl-1,3-dioxane
- IUPAC
- 2-benzyl-5-butyl-5-ethyl-1,3-dioxane
- English name
- 2-benzyl-5-butyl-5-ethyl-1,3-dioxane
- Molecular formula
- C17H26O2
- Molecular weight
- 262.38714
Names & synonyms
2-Benzyl-5-butyl-5-ethyl-1,3-dioxane93776-91-1EINECS 298-018-9NSC26393DTXSID30239604ZRICRSADBZTBIN-UHFFFAOYSA-NNSC 26393NSC-26393NS000629005-Butyl-5-ethyl-2-benzyl-1,3-dioxane
Database identifiers
- CAS
93776-91-1- PubChem CID
- 95267
- DTXSID
DTXSID30239604- EC Number
- 298-018-9
- Nikkaji
- J348.655I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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