[(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H42O2Si2 — CID 91751376

About [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91751376) has the molecular formula C25H42O2Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 91751376
• Molecular Formula: C25H42O2Si2
• Molecular Weight: 430.78 g/mol
• Exact Mass: 430.27
• IUPAC Name: [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C2CC[C@]2(C)C(O[Si](C)(C)C)=CCC12
• InChI: InChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h12-13,17,20-22H,9-11,14-16H2,1-8H3/t20?,21?,22?,24-,25-/m0/s1
• InChIKey: NZWSFMJGXZUTCA-JMQQHRRWSA-N
• XLogP: 7.64
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.78
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The IUPAC name of [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91751376) is [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

What is the SMILES notation for [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The canonical SMILES for [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C2CC[C@]2(C)C(O[Si](C)(C)C)=CCC12.

What is the InChIKey of [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The InChIKey is NZWSFMJGXZUTCA-JMQQHRRWSA-N. The full InChI is InChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h12-13,17,20-22H,9-11,14-16H2,1-8H3/t20?,21?,22?,24-,25-/m0/s1.

What are the key properties of [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

[(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 430.78 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91751376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).