1,3-Dioxane, 2-(1-propynyl)-
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Basic information
- CAS
53106-42-6- Standard SMILES
CC#CC1OCCCO1- InChIKey
RNXVBWVNQYFTBE-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2-(1-propynyl)-
- IUPAC
- 2-prop-1-ynyl-1,3-dioxane
- English name
- 1,3-Dioxane, 2-(1-propynyl)- (9CI)
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
SCHEMBL559774053106-42-61,3-DIOXANE, 2-(1-PROPYNYL)-DB-3226271,3-Dioxane, 2-(1-propyn-1-yl)-1,3-Dioxane, 2-(1-propynyl)- (9CI)
Database identifiers
- CAS
53106-42-6
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 184 · 184.0±35.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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