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

C33H68O4Si4 — CID 91752320

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

trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 91752320) has the molecular formula C33H68O4Si4 and a molecular weight of 641.25 g/mol. Its IUPAC name is trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• PubChem CID: 91752320
• Molecular Formula: C33H68O4Si4
• Molecular Weight: 641.25 g/mol
• Exact Mass: 640.42
• IUPAC Name: trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• SMILES: CC12CC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1C(O[Si](C)(C)C)CC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C
• InChI: InChI=1S/C33H68O4Si4/c1-31-22-24(23-34-38(4,5)6)29(35-39(7,8)9)21-28(31)30(36-40(10,11)12)20-25-26(31)16-18-32(2)27(25)17-19-33(32,3)37-41(13,14)15/h24-30H,16-23H2,1-15H3/t24?,25?,26?,27?,28?,29-,30?,31?,32?,33-/m0/s1
• InChIKey: FWMPPRRZLJTXRD-NIVHQRAKSA-N
• XLogP: 9.77
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.25
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 91752320) is trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

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

The canonical SMILES for trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is CC12CC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1C(O[Si](C)(C)C)CC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C.

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

The InChIKey is FWMPPRRZLJTXRD-NIVHQRAKSA-N. The full InChI is InChI=1S/C33H68O4Si4/c1-31-22-24(23-34-38(4,5)6)29(35-39(7,8)9)21-28(31)30(36-40(10,11)12)20-25-26(31)16-18-32(2)27(25)17-19-33(32,3)37-41(13,14)15/h24-30H,16-23H2,1-15H3/t24?,25?,26?,27?,28?,29-,30?,31?,32?,33-/m0/s1.

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

trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 641.25 g/mol, XLogP of 9.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 91752320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).