Basic information
- CAS
89216-36-4- Standard SMILES
CCCC#CC(C)C(C(=O)OCC)C(=O)OCC- InChIKey
DDDVWMRZOMUXTR-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- Diethyl (hept-3-yn-2-yl)propanedioate
- IUPAC
- diethyl 2-hept-3-yn-2-ylpropanedioate
Names & synonyms
89216-36-4DTXSID40752410Diethyl (hept-3-yn-2-yl)propanedioate
Database identifiers
- CAS
89216-36-4- PubChem CID
- 71322767
- DTXSID
DTXSID40752410
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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