[(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H44O2Si2 — CID 91748437

About [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91748437) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 91748437
• Molecular Formula: C25H44O2Si2
• Molecular Weight: 432.80 g/mol
• Exact Mass: 432.29
• IUPAC Name: [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: C[C@]12CCC3C(CC[C@H]4C=C(O[Si](C)(C)C)CC[C@]34C)C1CC=C2O[Si](C)(C)C
• InChI: InChI=1S/C25H44O2Si2/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/h12,17-18,20-22H,9-11,13-16H2,1-8H3/t18-,20?,21?,22?,24-,25-/m0/s1
• InChIKey: BMWSYFZMLBIPOC-ZZUJDXGJSA-N
• XLogP: 7.72
• 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	432.80
LogP ≤ 5	7.72
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 [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The IUPAC name of [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91748437) is [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

What is the SMILES notation for [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The canonical SMILES for [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CCC3C(CC[C@H]4C=C(O[Si](C)(C)C)CC[C@]34C)C1CC=C2O[Si](C)(C)C.

What is the InChIKey of [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The InChIKey is BMWSYFZMLBIPOC-ZZUJDXGJSA-N. The full InChI is InChI=1S/C25H44O2Si2/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/h12,17-18,20-22H,9-11,13-16H2,1-8H3/t18-,20?,21?,22?,24-,25-/m0/s1.

What are the key properties of [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

[(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 432.80 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91748437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).