[(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H44O2Si2 — CID 91748385

About [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91748385) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 91748385
• Molecular Formula: C25H44O2Si2
• Molecular Weight: 432.80 g/mol
• Exact Mass: 432.29
• IUPAC Name: [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: C[C@]12CCC3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)C=C[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/h12-13,15,18-22H,9-11,14,16-17H2,1-8H3/t18-,19-,20?,21?,22?,24+,25+/m1/s1
• InChIKey: SFRPNIJYLWNJTG-HZCDSKIMSA-N
• XLogP: 7.37
• 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	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The IUPAC name of [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91748385) is [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

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

What is the InChIKey of [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The InChIKey is SFRPNIJYLWNJTG-HZCDSKIMSA-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/h12-13,15,18-22H,9-11,14,16-17H2,1-8H3/t18-,19-,20?,21?,22?,24+,25+/m1/s1.

What are the key properties of [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

[(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 432.80 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,5R,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91748385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).