Basic information
- CAS
22645-28-9- Standard SMILES
CCCC1COC(C)OC1- InChIKey
KUFAMFIGLZITMN-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 2-Methyl-5-propyl-1,3-dioxane
- IUPAC
- 2-methyl-5-propyl-1,3-dioxane
- English name
- 2α-Methyl-5α-propyl-1,3-dioxane
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
22645-28-92-methyl-5-propyl-1,3-dioxaneDTXSID30945314RefChem:1063760DTXCID601373634cis-2-Methyl-5-propyl-1,3-dioxanetrans-2-Methyl-5-propyl-1,3-dioxanem-DIOXANE, 2-METHYL-5-PROPYL-, (Z)-22645-29-0m-DIOXANE, 2-METHYL-5-PROPYL-, (E)-2alpha-Methyl-5beta-propyl-1,3-dioxaneSCHEMBL12889540
Show more names
2α-Methyl-5α-propyl-1,3-dioxane1,3-Dioxane, 2-methyl-5-propyl-, cis-
AKOS025150703
Database identifiers
- CAS
22645-28-9、22645-29-0- PubChem CID
- 31464
- DTXSID
DTXSID30945314- Nikkaji
- J73.773I、J73.774G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.3
Physicochemical properties
- Boiling point
- 171.236 · 171.236±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.887 · 0.887±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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