Basic information
- CAS
89216-37-5- Standard SMILES
CCCC#CC(C)CC(=O)O- InChIKey
PDSMZEXBPWEFGZ-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 3-Methyloct-4-ynoic acid
- IUPAC
- 3-methyloct-4-ynoic acid
Names & synonyms
89216-37-53-METHYLOCT-4-YNOIC ACIDDTXSID00752411
Database identifiers
- CAS
89216-37-5- PubChem CID
- 71322768
- DTXSID
DTXSID00752411
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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