Basic information
- CAS
5468-08-6- Standard SMILES
CC1(C)COC(Cc2ccccc2)OC1- InChIKey
IHCANIZNDDYSKJ-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Overview
See also: 1,3-Dioxane, 5,5-dimethyl-2-(phenylmethyl)- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Benzyl-5,5-dimethyl-1,3-dioxane
- IUPAC
- 2-benzyl-5,5-dimethyl-1,3-dioxane
- English name
- 2-benzyl-5,5-dimethyl-1,3-dioxane
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28082
Names & synonyms
2-Benzyl-5,5-dimethyl-1,3-dioxane5468-08-6NSC25481SCHEMBL6913762DTXSID80969969IHCANIZNDDYSKJ-UHFFFAOYSA-NEINECS 226-785-1NSC 25481NSC-25481NS00044604[4-[3-(4-benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-phenyl]-phenyl-methanone
Database identifiers
- CAS
5468-08-6- PubChem CID
- 79602
- DTXSID
DTXSID80969969- EC Number
- 226-785-1
- Nikkaji
- J210.542J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 185
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…