m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
Basic information
- CAS
22644-54-8- Standard SMILES
CC(C)OCC1(C)COC(C(C)C)OC1- InChIKey
BIBPEWWZUOEEMJ-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
- IUPAC
- 5-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane
- English name
- 5α-(Isopropoxymethyl)-2β-isopropyl-5β-methyl-1,3-dioxane
- Molecular formula
- C12H24O3
- Molecular weight
- 216.319
Names & synonyms
22644-54-8m-DIOXANE, 5-(ISOPROPOXYMETHYL)-2-ISOPROPYL-5-METHYL-, (E)-trans-5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxaneDTXSID20177187RefChem:351554DTXCID30996785-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxane5alpha-(Isopropoxymethyl)-2beta-isopropyl-5beta-methyl-1,3-dioxanecis-5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxanestarbld0001289m-DIOXANE, 5-(ISOPROPOXYMETHYL)-2-ISOPROPYL-5-METHYL-, (Z)-
Show more names
22644-55-95-Methyl-2-(propan-2-yl)-5-{[(propan-2-yl)oxy]methyl}-1,3-dioxane
Database identifiers
- CAS
22644-54-8、22644-55-9- PubChem CID
- 31451
- DTXSID
DTXSID20177187- Nikkaji
- J73.746A、J73.747J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
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Related reactions
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Compound notes
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