[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C36H76O5Si5 — CID 91696849

About [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91696849) has the molecular formula C36H76O5Si5 and a molecular weight of 729.43 g/mol. Its IUPAC name is [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 91696849
• Molecular Formula: C36H76O5Si5
• Molecular Weight: 729.43 g/mol
• Exact Mass: 728.45
• IUPAC Name: [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C36H76O5Si5/c1-34-22-20-28(38-43(6,7)8)24-27(34)18-19-29-30-21-23-36(41-46(15,16)17,32(40-45(12,13)14)26-37-42(3,4)5)35(30,2)25-31(33(29)34)39-44(9,10)11/h27-33H,18-26H2,1-17H3/t27-,28-,29+,30+,31+,32?,33-,34+,35+,36-/m1/s1
• InChIKey: DUBRZSYNDDSLBA-XDENDJJISA-N
• XLogP: 10.74
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.43
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The IUPAC name of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91696849) is [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The canonical SMILES for [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The InChIKey is DUBRZSYNDDSLBA-XDENDJJISA-N. The full InChI is InChI=1S/C36H76O5Si5/c1-34-22-20-28(38-43(6,7)8)24-27(34)18-19-29-30-21-23-36(41-46(15,16)17,32(40-45(12,13)14)26-37-42(3,4)5)35(30,2)25-31(33(29)34)39-44(9,10)11/h27-33H,18-26H2,1-17H3/t27-,28-,29+,30+,31+,32?,33-,34+,35+,36-/m1/s1.

What are the key properties of [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 729.43 g/mol, XLogP of 10.74, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91696849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).