Basic information
- CAS
77052-08-5- Standard SMILES
CCOC(=O)C(C#N)C1CCCCCCCCCCC1- InChIKey
MSBSRHZWJSEYGM-UHFFFAOYSA-N- Molecular formula
- C17H29NO2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.21982917
Names & identifiers
- Preferred name
- Ethyl cyano(cyclododecyl)acetate
- IUPAC
- ethyl 2-cyano-2-cyclododecylacetate
Names & synonyms
Ethyl cyano(cyclododecyl)acetateDTXSID501299968Ethyl I+/--cyanocyclododecaneacetate77052-08-5
Database identifiers
- CAS
77052-08-5- PubChem CID
- 12596161
- DTXSID
DTXSID501299968
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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