Basic information
- CAS
22644-62-8- Standard SMILES
COC(C)C1(C(C)C)COC(c2ccccc2)OC1- InChIKey
MLBRCQKWCHCCTD-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Names & identifiers
- Preferred name
- 5-(1-Methoxyethyl)-2-phenyl-5-(propan-2-yl)-1,3-dioxane
- IUPAC
- 5-(1-methoxyethyl)-2-phenyl-5-propan-2-yl-1,3-dioxane
- English name
- 5α-Isopropyl-5β-(1-methoxyethyl)-2β-phenyl-1,3-dioxane
- Molecular formula
- C16H24O3
- Molecular weight
- 264.363
Names & synonyms
22644-62-8DTXSID009453065-(1-Methoxyethyl)-2-phenyl-5-(propan-2-yl)-1,3-dioxaneRefChem:1072343DTXCID40137362622644-63-9trans-5-Isopropyl-5-(1-methoxyethyl)-2-phenyl-1,3-dioxanem-DIOXANE, 5-ISOPROPYL-5-(1-METHOXYETHYL)-2-PHENYL-, (E)-m-DIOXANE, 5-ISOPROPYL-5-(1-METHOXYETHYL)-2-PHENYL-, (Z)-cis-5-Isopropyl-5-(1-methoxyethyl)-2-phenyl-1,3-dioxaneBRN 13123925-(1-methoxyethyl)-2-phenyl-5-propan-2-yl-1,3-dioxane
Show more names
5beta-Isopropyl-5alpha-(1-methoxyethyl)-2beta-phenyl-1,3-dioxane5alpha-Isopropyl-5beta-(1-methoxyethyl)-2beta-phenyl-1,3-dioxane5-19-02-00588 (Beilstein Handbook Reference)
Database identifiers
- CAS
22644-62-8、22644-63-9- PubChem CID
- 31453
- DTXSID
DTXSID00945306- Nikkaji
- J73.752F、J73.753D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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