Pent-2-ynyloxirane
Basic information
- CAS
56956-21-9- Standard SMILES
CCC#CCC1CO1- InChIKey
KJJIVFBKAQJUMY-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- Pent-2-ynyloxirane
- IUPAC
- 2-pent-2-ynyloxirane
- English name
- pent-2-ynyloxirane
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
Pent-2-ynyloxirane56956-21-92-(pent-2-yn-1-yl)oxiraneEINECS 260-465-2SCHEMBL17039193DTXSID30972408KJJIVFBKAQJUMY-UHFFFAOYSA-NDB-321342NS000539652-PentynyloxiraneOxirane, 2-(2-pentyn-1-yl)-
Database identifiers
- CAS
56956-21-9- PubChem CID
- 92588
- DTXSID
DTXSID30972408- EC Number
- 260-465-2
- Nikkaji
- J267.148D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 64 · 64-66 °C(Press: 20 Torr)
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
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Compound notes
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