Basic information
- CAS
22645-42-7- Standard SMILES
CCCC1(COC)COC(C(C)C)OC1- InChIKey
TXVWJQUUWDTJRT-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 5-(Methoxymethyl)-2-(propan-2-yl)-5-propyl-1,3-dioxane
- IUPAC
- 5-(methoxymethyl)-2-propan-2-yl-5-propyl-1,3-dioxane
- English name
- 2β-Isopropyl-5β-(methoxymethyl)-5α-propyl-1,3-dioxane
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
DTXSID309453195-(Methoxymethyl)-2-(propan-2-yl)-5-propyl-1,3-dioxaneRefChem:1072565DTXCID10137363922645-42-7cis-2-Isopropyl-5-(methoxymethyl)-5-propyl-1,3-dioxanem-DIOXANE, 2-ISOPROPYL-5-(METHOXYMETHYL)-5-PROPYL-, (Z)-trans-2-Isopropyl-5-(methoxymethyl)-5-propyl-1,3-dioxanem-DIOXANE, 2-ISOPROPYL-5-(METHOXYMETHYL)-5-PROPYL-, (E)-22645-43-82beta-Isopropyl-5alpha-(methoxymethyl)-5beta-propyl-1,3-dioxane2β-Isopropyl-5β-(methoxymethyl)-5α-propyl-1,3-dioxane
Show more names
1,3-Dioxane, 5-(methoxymethyl)-2-(1-methylethyl)-5-propyl-, cis-
Database identifiers
- CAS
22645-42-7、22645-43-8- PubChem CID
- 31469
- DTXSID
DTXSID30945319- Nikkaji
- J73.758E、J73.759C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 258.715 · 258.715±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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