5,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxane
Basic information
- CAS
84697-11-0- Standard SMILES
CC(c1ccccc1)C1OCC(C)(C)CO1- InChIKey
CYSFBBKZAKVSNZ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxane
- IUPAC
- 5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane
- English name
- 5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane
- Molecular formula
- C14H20O2
- Molecular weight
- 220.3074
Names & synonyms
5,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxane84697-11-0EINECS 283-721-5DTXSID90920304NSC 4051690598-46-2RefChem:101038DTXCID701349218283-721-5NSC40516SCHEMBL21456881CYSFBBKZAKVSNZ-UHFFFAOYSA-N
Show more names
NSC-40516NS00059340
Database identifiers
- CAS
84697-11-0、90598-46-2- PubChem CID
- 97791
- DTXSID
DTXSID90920304- EC Number
- 283-721-5、618-591-4
- Nikkaji
- J309.083C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Dioxane, 5,5-dimethyl-2-(1-phenylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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Compound notes
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