[(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C29H53FO3Si3 — CID 91753560

About [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91753560) has the molecular formula C29H53FO3Si3 and a molecular weight of 553.00 g/mol. Its IUPAC name is [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 91753560
• Molecular Formula: C29H53FO3Si3
• Molecular Weight: 553.00 g/mol
• Exact Mass: 552.33
• IUPAC Name: [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: CC12CCC(O[Si](C)(C)C)=CC1=CCC1C3CC[C@](C)(O[Si](C)(C)C)C3(C)CC(O[Si](C)(C)C)[C@@]12F
• InChI: InChI=1S/C29H53FO3Si3/c1-26-17-15-22(31-34(4,5)6)19-21(26)13-14-24-23-16-18-28(3,33-36(10,11)12)27(23,2)20-25(29(24,26)30)32-35(7,8)9/h13,19,23-25H,14-18,20H2,1-12H3/t23?,24?,25?,26?,27?,28-,29-/m0/s1
• InChIKey: WDLOCDDPAONUQC-OKPYCMANSA-N
• XLogP: 8.83
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.00
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The IUPAC name of [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91753560) is [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

What is the SMILES notation for [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The canonical SMILES for [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC12CCC(O[Si](C)(C)C)=CC1=CCC1C3CC[C@](C)(O[Si](C)(C)C)C3(C)CC(O[Si](C)(C)C)[C@@]12F.

What is the InChIKey of [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The InChIKey is WDLOCDDPAONUQC-OKPYCMANSA-N. The full InChI is InChI=1S/C29H53FO3Si3/c1-26-17-15-22(31-34(4,5)6)19-21(26)13-14-24-23-16-18-28(3,33-36(10,11)12)27(23,2)20-25(29(24,26)30)32-35(7,8)9/h13,19,23-25H,14-18,20H2,1-12H3/t23?,24?,25?,26?,27?,28-,29-/m0/s1.

What are the key properties of [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

[(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 553.00 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91753560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).