Basic information
- CAS
78961-60-1- Standard SMILES
COCC#CC(C)(C)OC- InChIKey
VYOCMJSYCODJCD-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 1,4-Dimethoxy-4-methylpent-2-yne
- IUPAC
- 1,4-dimethoxy-4-methylpent-2-yne
Names & synonyms
78961-60-11,4-dimethoxy-4-methylpent-2-yneNSC363922DTXSID703207421,4-dimethoxy-4-methyl-pent-2-yneNSC-363922DS-008421
Database identifiers
- CAS
78961-60-1- PubChem CID
- 339028
- DTXSID
DTXSID70320742
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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