Basic information
- CAS
65960-09-0- Standard SMILES
CCCCC#CC=C(C)C(=O)OC- InChIKey
QPHXZBYMGLUVQT-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- Methyl 2-methylnon-2-en-4-ynoate
- IUPAC
- methyl 2-methylnon-2-en-4-ynoate
Names & synonyms
Methyl 2-methylnon-2-en-4-ynoate65960-09-0DTXSID80404486
Database identifiers
- CAS
65960-09-0- PubChem CID
- 4580648
- DTXSID
DTXSID80404486
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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