Basic information
- CAS
19476-85-8- Standard SMILES
CCCC1(C(C)OC(C)C)COC(C)OC1- InChIKey
YPZUJHGPKMAZLO-UHFFFAOYSA-N- Molecular formula
- C13H26O3
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.18819469
Names & identifiers
- Preferred name
- 2-Methyl-5-(1-((propan-2-yl)oxy)ethyl)-5-propyl-1,3-dioxane
- IUPAC
- 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane
- English name
- 5α-(1-Isopropoxyethyl)-2β-methyl-5β-propyl-1,3-dioxane
- Molecular formula
- C13H26O3
- Molecular weight
- 230.34
Names & synonyms
DTXSID409412262-Methyl-5-(1-((propan-2-yl)oxy)ethyl)-5-propyl-1,3-dioxane2-Methyl-5-{1-[(propan-2-yl)oxy]ethyl}-5-propyl-1,3-dioxaneRefChem:1063748DTXCID00136966919476-85-8m-DIOXANE, 5-(1-ISOPROPOXYETHYL)-2-METHYL-5-PROPYL-, (Z)-2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane5-(1-ISOPROPOXYETHYL)-2-METHYL-5-PROPYL-1,3-DIOXANE22644-73-119476-86-9cis-5-(1-Isoproxyethyl)-2-methyl-5-propyl-1,3-dioxane
Show more names
5α-(1-Isopropoxyethyl)-2β-methyl-5β-propyl-1,3-dioxane
starbld0007184trans-5-(1-Isopropoxyethyl)-2-methyl-5-propyl-1,3-dioxane5beta-(1-Isopropoxyethyl)-2beta-methyl-5alpha-propyl-1,3-dioxanem-DIOXANE, 5-(1-ISOPROPOXYETHYL)-2-METHYL-5-PROPYL-, (E)-5alpha-(1-Isopropoxyethyl)-2beta-methyl-5beta-propyl-1,3-dioxane
Database identifiers
- CAS
19476-85-8、22644-73-1- PubChem CID
- 29628
- DTXSID
DTXSID40941226
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 276.861 · 276.861±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.912 · 0.912±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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