5-(Methoxymethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
Basic information
- CAS
22645-40-5- Standard SMILES
COCC1(C(C)C)COC(C)OC1- InChIKey
CXTFIWDHFDRXKK-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 5-(Methoxymethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
- IUPAC
- 5-(methoxymethyl)-2-methyl-5-propan-2-yl-1,3-dioxane
- English name
- 5β-Isopropyl-5α-(methoxymethyl)-2β-methyl-1,3-dioxane
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
DTXSID709453185-(Methoxymethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxaneRefChem:1072566DTXCID40137363822645-40-55-(methoxymethyl)-2-methyl-5-propan-2-yl-1,3-dioxanecis-5-Isopropyl-5-(methoxymethyl)-2-methyl-1,3-dioxanem-DIOXANE, 5-ISOPROPYL-5-(METHOXYMETHYL)-2-METHYL-, (E)-trans-5-Isopropyl-5-(methoxymethyl)-2-methyl-1,3-dioxanem-DIOXANE, 5-ISOPROPYL-5-(METHOXYMETHYL)-2-METHYL-, (Z)-22645-41-65beta-Isopropyl-5alpha-(methoxymethyl)-2beta-methyl-1,3-dioxane
Show more names
5β-Isopropyl-5α-(methoxymethyl)-2β-methyl-1,3-dioxane
Database identifiers
- CAS
22645-40-5、22645-41-6- PubChem CID
- 31468
- DTXSID
DTXSID70945318- Nikkaji
- J73.756I、J73.757G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 219.506 · 219.506±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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