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

C36H74O4Si4 — CID 24893066

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

[(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane (PubChem CID 24893066) has the molecular formula C36H74O4Si4 and a molecular weight of 683.33 g/mol. Its IUPAC name is [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane
• PubChem CID: 24893066
• Molecular Formula: C36H74O4Si4
• Molecular Weight: 683.33 g/mol
• Exact Mass: 682.47
• IUPAC Name: [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane
• SMILES: CC(CCCO[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CCC4(C)C3C[C@H](O[Si](C)(C)C)C12C
• InChI: InChI=1S/C36H74O4Si4/c1-26(17-16-22-37-41(4,5)6)29-18-19-30-34-31(25-33(36(29,30)3)40-44(13,14)15)35(2)21-20-28(38-42(7,8)9)23-27(35)24-32(34)39-43(10,11)12/h26-34H,16-25H2,1-15H3/t26?,27-,28+,29?,30?,31?,32?,33-,34?,35?,36?/m0/s1
• InChIKey: SQXKEDIKDUJREO-XRDMCNFDSA-N
• XLogP: 10.79
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.33
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane (CID 24893066) is [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane.

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

The canonical SMILES for [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane is CC(CCCO[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CCC4(C)C3C[C@H](O[Si](C)(C)C)C12C.

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

The InChIKey is SQXKEDIKDUJREO-XRDMCNFDSA-N. The full InChI is InChI=1S/C36H74O4Si4/c1-26(17-16-22-37-41(4,5)6)29-18-19-30-34-31(25-33(36(29,30)3)40-44(13,14)15)35(2)21-20-28(38-42(7,8)9)23-27(35)24-32(34)39-43(10,11)12/h26-34H,16-25H2,1-15H3/t26?,27-,28+,29?,30?,31?,32?,33-,34?,35?,36?/m0/s1.

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

[(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane has a molecular weight of 683.33 g/mol, XLogP of 10.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(5-trimethylsilyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane is sourced from PubChem (CID 24893066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).