Basic information
- CAS
61683-86-1- Standard SMILES
COc1ccc(C2OCC(C)(C)C(C(C)C)O2)cc1- InChIKey
SAPSRDCAWQTFLZ-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Overview
See other relationships...
Names & identifiers
- Preferred name
- 4-Isopropyl-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane
- IUPAC
- 2-(4-methoxyphenyl)-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
- English name
- 4-isopropyl-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane
- Molecular formula
- C16H24O3
- Molecular weight
- 264.36
Names & synonyms
61683-86-14-Isopropyl-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxaneNSC27880EINECS 262-896-1DTXSID70977255SAPSRDCAWQTFLZ-UHFFFAOYSA-N2-(4-Methoxyphenyl)-5,5-dimethyl-4-(propan-2-yl)-1,3-dioxaneNSC 27880NSC-27880DB-316637NS000536352-(4-Methoxyphenyl)-5,5-dimethyl-4-(1-methylethyl)-1,3-dioxane
Show more names
1,3-Dioxane, 2-(4-methoxyphenyl)-5,5-dimethyl-4-(1-methylethyl)-
Database identifiers
- CAS
61683-86-1- PubChem CID
- 95658
- DTXSID
DTXSID70977255- EC Number
- 262-896-1
- Nikkaji
- J279.687B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 346.9 · 346.9±37.0 °C(Predicted)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…