Basic information
- Standard SMILES
CC1(C)C(=O)[C@H](C#N)C[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
GTBRTGPZZALPNS-MXHVRSFHSA-N- Molecular formula
- C23H33NO2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.2511293
Names & identifiers
- Preferred name
- Cyanoketone
- IUPAC
- (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
- English name
- Cyanoketone
- Molecular weight
- 0
Names & synonyms
CyanoketoneCyanotrimethylandrostenolone4248-66-2EPG65S4XCZANDROST-5-ENE-2-alpha-CARBONITRILE, 17-beta-HYDROXY-4,4,17-TRIMETHYL-3-OXO-DTXSID50962528Androst-5-ene-2-carbonitrile, 17-hydroxy-4,4,17-trimethyl-3-oxo-, (2alpha,17beta)-RefChem:129061DTXCID701390330BRN 5763422UNII-EPG65S4XCZ(2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
Show more names
17β-Hydroxy-4,4,17α-trimethyl-3-oxoandrost-5-ene-2α-carbonitrile
2alpha-Cyano-4,4,17alpha-trimethylandrost-5-en-17beta-ol-3-one2-alpha-Cyano-4,4,17-alpha-trimethylandrost-5-en-17-beta-ol-3-one2alpha-Cyano-4,4,17alpha-trimethyl-3-oxo-5-androstene-17beta-ol2alpha-Cyano-4,4,17alpha-trimethyl-17beta-hydroxy androst-5-ene-3-oneSCHEMBL1892517beta-Hydroxy-4,4,17alpha-trimethyl-3-oxoandrost-5-ene-2alpha-carbonitrileAndrost-5-ene-2-carbonitrile, 17-hydroxy-4,4,17-trimethyl-3-oxo-, (2.alpha.,17.beta.)-Q5197469
Database identifiers
- CAS
4248-66-2- PubChem CID
- 20243
- DTXSID
DTXSID50962528- UNII
- EPG65S4XCZ
- Nikkaji
- J58.242E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 743
Physicochemical properties
- Boiling point
- 488.52 °C · 488.52°C (rough estimate)
- Density
- 1.0534 · 1.0534 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- FDA UNII
- 65 S4XCZ · EPG65S4XCZ
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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