2-Benzyl-5-methyl-5-propyl-1,3-dioxane
Basic information
- CAS
6301-66-2- Standard SMILES
CCCC1(C)COC(Cc2ccccc2)OC1- InChIKey
OYLVIOZNQQRAIF-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Overview
See also: 1,3-Dioxane, 5-methyl-2-(phenylmethyl)-5-propyl- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Benzyl-5-methyl-5-propyl-1,3-dioxane
- IUPAC
- 2-benzyl-5-methyl-5-propyl-1,3-dioxane
- English name
- 2-benzyl-5-methyl-5-propyl-1,3-dioxane
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
2-Benzyl-5-methyl-5-propyl-1,3-dioxane6301-66-2NSC42589EINECS 228-595-4DTXSID30212230OYLVIOZNQQRAIF-UHFFFAOYSA-NNSC 42589NSC-42589NS000352525-Methyl-2-(phenylmethyl)-5-propyl-1,3-dioxane1,3-Dioxane, 5-methyl-2-(phenylmethyl)-5-propyl-
Database identifiers
- CAS
6301-66-2- PubChem CID
- 95907
- DTXSID
DTXSID30212230- EC Number
- 228-595-4
- Nikkaji
- J206.879F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 315.7 · 315.7±17.0 °C(Predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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