Basic information
- CAS
22645-38-1- Standard SMILES
CCCC1(COC)COC(C)OC1- InChIKey
GSOKQVFYZFPRHY-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-propyl-1,3-dioxane
- IUPAC
- 5-(methoxymethyl)-2-methyl-5-propyl-1,3-dioxane
- English name
- 5α-(Methoxymethyl)-2β-methyl-5β-propyl-1,3-dioxane
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
5-(methoxymethyl)-2-methyl-5-propyl-1,3-dioxane22645-38-1DTXSID10945317RefChem:1072567DTXCID701373637m-DIOXANE, 5-(METHOXYMETHYL)-2-METHYL-5-PROPYL-, (Z)-cis-5-(Methoxymethyl)-2-methyl-5-propyl-1,3-dioxanetrans-5-(Methoxymethyl)-2-methyl-5-propyl-1,3-dioxanem-DIOXANE, 5-(METHOXYMETHYL)-2-METHYL-5-PROPYL-, (E)-22645-39-25alpha-(Methoxymethyl)-2beta-methyl-5beta-propyl-1,3-dioxane5α-(Methoxymethyl)-2β-methyl-5β-propyl-1,3-dioxane
Database identifiers
- CAS
22645-38-1、22645-39-2- PubChem CID
- 31467
- DTXSID
DTXSID10945317- Nikkaji
- J73.771B、J73.772K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 225.329 · 225.329±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.918 · 0.918±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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