Ethyl 2-(acetylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Basic information
- CAS
213192-27-9- Standard SMILES
CCOC(=O)c1c(NC(C)=O)sc2c1CCCCCCCCCC2- InChIKey
PTHABVYDESHKSK-UHFFFAOYSA-N- Molecular formula
- C19H29NO3S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.18681496
Names & identifiers
- Preferred name
- Ethyl 2-(acetylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-acetamido-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
- English name
- Ethyl 2-acetamido-4,5,6,7,8,9,10,11,12,13-decahydro-[1]cyclododeca[b]thiophene-3-carboxylate
- Molecular formula
- C19H29NO3S
- Molecular weight
- 351.5
Names & synonyms
ethyl 2-(acetylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate213192-27-9ethyl 2-acetamido-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylateOprea1_310080Oprea1_786463DTXSID501120377STK415455AKOS003301716ST50939896AE-848/13424265ethyl 2-(acetylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[1,2-b]thiop hene-3-carboxylateTOSLAB 98376
Show more names
Ethyl 2-acetamido-4,5,6,7,8,9,10,11,12,13-decahydro-[1]cyclododeca[b]thiophene-3-carboxylateCyclododeca[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7,8,9,10,11,12,13-decahydro-, ethyl ester
Database identifiers
- CAS
213192-27-9- PubChem CID
- 2723554
- DTXSID
DTXSID501120377
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Boiling point
- 553.7 · 553.7±50.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 14.4 · 14.40±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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