Basic information
- CAS
91553-92-3- Standard SMILES
C#CCC1CCCCCCC1OC(N)=O- InChIKey
BYKOUTLNFZTIPN-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate
- IUPAC
- (2-prop-2-ynylcyclooctyl) carbamate
- English name
- Carbamic acid, 1-(2-propynyl)cyclooctyl ester (6CI,7CI)
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
91553-92-3DTXSID509196582-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidateRefChem:1062029DTXCID9013485851-(2-Propynyl)cyclooctanol carbamate1-(2-Propynyl)cyclooctyl ester of carbamic acidBRN 3275121Cyclooctanol, 1-(2-proynyl)-, carbamateCARBAMIC ACID, 1-(2-PROPYNYL)CYCLOOCTYL ESTER4-06-00-00391 (Beilstein Handbook Reference)Carbamic acid, 1-(2-propynyl)cyclooctyl ester (6CI,7CI)
Database identifiers
- CAS
91553-92-3- PubChem CID
- 56264
- DTXSID
DTXSID50919658
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 113 · 113-114 °C
- Boiling point
- 338.5 · 338.5±11.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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