Basic information
- CAS
10247-98-0- Standard SMILES
C[C@@]12CCC[C@H]1[C@@H]1CC=C3CC(=O)CC[C@]3(C)[C@H]1CC2- InChIKey
BTWXCZBMTLSXQW-VMXHOPILSA-N- Molecular formula
- C19H28O
- Average molar mass
- 272.4 g/mol
Names & identifiers
- Preferred name
- Androst-5-en-3-one
- IUPAC
- (8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
- Molecular formula
- C19H28O
- Molecular weight
- 272.42
Names & synonyms
Androst-5-en-3-oneSCHEMBL4630570Androst-4-en-3-one1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
Database identifiers
- CAS
10247-98-0- Nikkaji
- J81.477F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Melting point
- 116 · 116-120 ºC
- Boiling point
- 383.5 · 383.5±11.0 °C(Predicted)
- Density
- 1.05 · 1.05
Chemistry & industry
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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