(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase ID: 129456
• Molecular Formular: C22H36O2Si
• Molecular Mass: 360.60554
• Monoisotopic Mass: 360.24845692
• SMILES: O=C1C=C2[C@]([C@H]3CC[C@@]4([C@@H](O[Si](C)(C)C)CC[C@H]4[C@@H]3CC2)C)(C)CC1
• Canonical SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O[Si](C)(C)C)C)C
• InChI: InChI=1S/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3/t17-,18-,19-,20-,21-,22-/m0/s1
• InChIKey: HNZDTAXZHUDITM-WLNPFYQQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10R,11S,14S,15S)-2,15-dimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC Systematic name: 2,15-Dimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^2,7.0^11,15]heptadec-6-en-5-one
• IUPAC Traditional name: silandrone
• Synonyms: O-Trimethylsilyltestosterone; Silandrone

Database IDs

• CAS Number: 5055-42-5
• EC Number: 225-755-5
• PubChem SID: 162223750
• PubChem CID: 68627; 521285
• CHEBI ID: 607921
• Chemspider ID: 61886
• KEGG ID: D05837
• Wikipedia Title: Silandrone

CALCULATED PROPERTIES

• Acid pKa: 19.086866
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6709
• LogD (pH = 7.4): 5.6709
• Log P: 5.6709
• Molar Refractivity: 100.5557 cm^3
• Polarizability: 41.792355 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false