Basic information
- CAS
2798-72-3- Standard SMILES
C#CC=COCCCC- InChIKey
FMSGJPWEFWNZHI-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 1-Butoxy-1-buten-3-yne
- IUPAC
- 1-but-1-en-3-ynoxybutane
Names & synonyms
1-Butoxy-1-buten-3-yneethynylvinyl butyl ether1-Butoxybut-1-en-3-yneDTXSID1013143002798-72-3
Database identifiers
- CAS
2798-72-3- PubChem CID
- 200834
- DTXSID
DTXSID101314300
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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