Basic information
- CAS
2798-73-4- Standard SMILES
C#C/C=C/OC- InChIKey
VTWTUVLDYHBQTC-SNAWJCMRSA-N- Molecular formula
- C5H6O
- Average molar mass
- 82.1 g/mol
- Monoisotopic mass
- 82.04186481
Names & identifiers
- Preferred name
- 1-Methoxy-1-buten-3-yne
- IUPAC
- (E)-1-methoxybut-1-en-3-yne
Names & synonyms
1-Methoxy-1-buten-3-yne(E)-1-methoxybut-1-en-3-yne3685-20-91-Buten-3-yne, 1-methoxy-, (E)-1-methoxybut-1-en-3-yne(1E)-1-methoxybut-1-en-3-yne1-Methoxy-1E-buten-3-yneSCHEMBL1760688SCHEMBL1858843trans-1-methoxy-but-1-en-3-yne(1E)-1-Methoxy-1-buten-3-yne #AKOS006239519
Show more names
1-buten-3-yne, 1-methoxy-, (1E)-InChI=1/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4
Database identifiers
- CAS
2798-73-4- PubChem CID
- 643188
- Nikkaji
- J151.261G、J256.592G
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
1 records
Compound notes
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