3-Methoxybut-1-yne
Basic information
- CAS
18857-02-8- Standard SMILES
C#CC(C)OC- InChIKey
IQZDPIFYYGRHQI-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751487
Names & identifiers
- Preferred name
- 3-Methoxybut-1-yne
- IUPAC
- 3-methoxybut-1-yne
Names & synonyms
3-methoxybut-1-yne18857-02-8DTXSID60315607RefChem:280500DTXCID502667301-Butyne, 3-methoxy-NSC295556SCHEMBL383527SCHEMBL1015253SCHEMBL1453279SCHEMBL4025745IQZDPIFYYGRHQI-UHFFFAOYSA-N
Show more names
AT37353NSC-295556EN300-5211235
Database identifiers
- CAS
18857-02-8- PubChem CID
- 325947
- DTXSID
DTXSID60315607
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 67.3
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…