[(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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

C35H72O4Si4 — CID 24883609

About [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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-(4-trimethylsilyloxybutan-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 24883609) has the molecular formula C35H72O4Si4 and a molecular weight of 669.30 g/mol. Its IUPAC name is [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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-(4-trimethylsilyloxybutan-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: 24883609
• Molecular Formula: C35H72O4Si4
• Molecular Weight: 669.30 g/mol
• Exact Mass: 668.45
• IUPAC Name: [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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(CCO[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/C35H72O4Si4/c1-25(19-21-36-40(4,5)6)28-16-17-29-33-30(24-32(35(28,29)3)39-43(13,14)15)34(2)20-18-27(37-41(7,8)9)22-26(34)23-31(33)38-42(10,11)12/h25-33H,16-24H2,1-15H3/t25?,26-,27+,28?,29?,30?,31?,32-,33?,34?,35?/m0/s1
• InChIKey: AZJYCBBVNRRNOD-HOYRMVKXSA-N
• XLogP: 10.40
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.30
LogP ≤ 5	10.40
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 [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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-(4-trimethylsilyloxybutan-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 24883609) is [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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-(4-trimethylsilyloxybutan-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-(4-trimethylsilyloxybutan-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(CCO[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-(4-trimethylsilyloxybutan-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 AZJYCBBVNRRNOD-HOYRMVKXSA-N. The full InChI is InChI=1S/C35H72O4Si4/c1-25(19-21-36-40(4,5)6)28-16-17-29-33-30(24-32(35(28,29)3)39-43(13,14)15)34(2)20-18-27(37-41(7,8)9)22-26(34)23-31(33)38-42(10,11)12/h25-33H,16-24H2,1-15H3/t25?,26-,27+,28?,29?,30?,31?,32-,33?,34?,35?/m0/s1.

What are the key properties of [(3R,5S,12S)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-17-(4-trimethylsilyloxybutan-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-(4-trimethylsilyloxybutan-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 669.30 g/mol, XLogP of 10.40, 11 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-(4-trimethylsilyloxybutan-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 24883609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).