2-(Propan-2-yl)-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)-1,3-dioxane
Basic information
- CAS
22644-70-8- Standard SMILES
C=CCC1(C(C)OCCC)COC(C(C)C)OC1- InChIKey
NAQZZQUPMYYENO-UHFFFAOYSA-N- Molecular formula
- C15H28O3
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.20384475
Names & identifiers
- Preferred name
- 2-(Propan-2-yl)-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)-1,3-dioxane
- IUPAC
- 2-propan-2-yl-5-prop-2-enyl-5-(1-propoxyethyl)-1,3-dioxane
- English name
- 5α-Allyl-2β-isopropyl-5β-(1-propoxyethyl)-1,3-dioxane
- Molecular formula
- C15H28O3
- Molecular weight
- 256.38
Names & synonyms
22644-70-8DTXSID909453102-(Propan-2-yl)-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)-1,3-dioxaneRefChem:1062033DTXCID801373630cis-5-Allyl-2-isopropyl-5-(1-propoxyethyl)-1,3-dioxanem-DIOXANE, 5-ALLYL-2-ISOPROPYL-5-(1-PROPOXYETHYL)-, (Z)-5alpha-Allyl-2beta-isopropyl-5beta-(1-propoxyethyl)-1,3-dioxanem-Dioxane, 5-allyl-2-isopropyl-5-(1-propoxyethyl)-, cis- (8CI)
Database identifiers
- CAS
22644-70-8- PubChem CID
- 31459
- DTXSID
DTXSID90945310- Nikkaji
- J69.174G、J69.175E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 303.3 · 303.3±17.0 °C(Predicted)
- Density
- 0.916 · 0.916±0.06 g/cm3(Predicted)
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Compound notes
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