Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
Basic information
- CAS
100836-83-7- Standard SMILES
C#CC(OC(=O)Nc1ccccc1)C1CCCCC1- InChIKey
YWVRFLPOLDGBCK-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
- IUPAC
- 1-cyclohexylprop-2-ynyl N-phenylcarbamate
- English name
- Cyclohexanemethanol, alpha-ethynyl-, carbanilate
- Molecular formula
- C16H19NO2
- Molecular weight
- 257.33
Names & synonyms
100836-83-7CARBANILIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTERRefChem:1081031Cyclohexanemethanol, alpha-ethynyl-, carbanilate1-cyclohexylprop-2-ynyl N-phenylcarbamate1-Cyclohexyl-2-propyn-1-yl carbanilateDTXSID509057981-Cyclohexylprop-2-yn-1-yl hydrogen phenylcarbonimidateCyclohexanemethanol, α-ethynyl-, phenylcarbamate (9CI)
Database identifiers
- CAS
100836-83-7- PubChem CID
- 58083
- DTXSID
DTXSID50905798- Nikkaji
- J69.431B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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