Basic information
- CAS
2798-73-4- Standard SMILES
C#CC=COC- InChIKey
VTWTUVLDYHBQTC-UHFFFAOYSA-N- Molecular formula
- C5H6O
- Average molar mass
- 82.1 g/mol
- Monoisotopic mass
- 82.04186481
Names & identifiers
- Preferred name
- 4-Methoxy-but-3-en-1-yne
- IUPAC
- 1-methoxybut-1-en-3-yne
Names & synonyms
4-methoxy-3-butene-1-yne1-methoxy-but-1-en-3-yne4-methoxy-but-3-en-1-yneSCHEMBL1760689NS00028398
Database identifiers
- CAS
2798-73-4- PubChem CID
- 97983
- DTXSID
DTXSID9062647
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 83.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
2 records
Compound notes
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