[(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane

C31H56O2Si2 — CID 22215526

About [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane

[(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane (PubChem CID 22215526) has the molecular formula C31H56O2Si2 and a molecular weight of 516.96 g/mol. Its IUPAC name is [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane.

Molecular Properties

• Compound Name: [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane
• PubChem CID: 22215526
• Molecular Formula: C31H56O2Si2
• Molecular Weight: 516.96 g/mol
• Exact Mass: 516.38
• IUPAC Name: [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane
• SMILES: C=CC[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)O[Si](C)(C)CC=C)CC[C@@H]32)C1
• InChI: InChI=1S/C31H56O2Si2/c1-10-20-34(6,7)32-23(3)27-14-15-28-26-13-12-24-22-25(33-35(8,9)21-11-2)16-18-30(24,4)29(26)17-19-31(27,28)5/h10-11,23-29H,1-2,12-22H2,3-9H3/t23-,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1
• InChIKey: TWQXQOQGZQPBFT-PZSQHWECSA-N
• XLogP: 9.22
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.96
LogP ≤ 5	9.22
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 [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane?

The IUPAC name of [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane (CID 22215526) is [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane.

What is the SMILES notation for [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane?

The canonical SMILES for [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)O[Si](C)(C)CC=C)CC[C@@H]32)C1.

What is the InChIKey of [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane?

The InChIKey is TWQXQOQGZQPBFT-PZSQHWECSA-N. The full InChI is InChI=1S/C31H56O2Si2/c1-10-20-34(6,7)32-23(3)27-14-15-28-26-13-12-24-22-25(33-35(8,9)21-11-2)16-18-30(24,4)29(26)17-19-31(27,28)5/h10-11,23-29H,1-2,12-22H2,3-9H3/t23-,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1.

What are the key properties of [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane?

[(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane has a molecular weight of 516.96 g/mol, XLogP of 9.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-[dimethyl(prop-2-enyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 22215526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).