trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

C31H55NO4Si2 — CID 91750724

About trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (PubChem CID 91750724) has the molecular formula C31H55NO4Si2 and a molecular weight of 561.96 g/mol. Its IUPAC name is trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate.

Molecular Properties

• Compound Name: trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
• PubChem CID: 91750724
• Molecular Formula: C31H55NO4Si2
• Molecular Weight: 561.96 g/mol
• Exact Mass: 561.37
• IUPAC Name: trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
• SMILES: CO/N=C1/C=C2CC(O[Si](C)(C)C)C3C(CC[C@@]4(C)C3CC[C@@H]4C(C)CCC(=O)O[Si](C)(C)C)[C@@]2(C)CC1
• InChI: InChI=1S/C31H55NO4Si2/c1-21(11-14-28(33)36-38(8,9)10)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(32-34-4)19-22(30)20-27(29)35-37(5,6)7/h19,21,24-27,29H,11-18,20H2,1-10H3/b32-23+/t21?,24-,25?,26?,27?,29?,30+,31-/m1/s1
• InChIKey: QOTVZIAXEYHVPF-OBBUVTMASA-N
• XLogP: 8.19
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.96
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate?

The IUPAC name of trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CID 91750724) is trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate.

What is the SMILES notation for trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate?

The canonical SMILES for trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate is CO/N=C1/C=C2CC(O[Si](C)(C)C)C3C(CC[C@@]4(C)C3CC[C@@H]4C(C)CCC(=O)O[Si](C)(C)C)[C@@]2(C)CC1.

What is the InChIKey of trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate?

The InChIKey is QOTVZIAXEYHVPF-OBBUVTMASA-N. The full InChI is InChI=1S/C31H55NO4Si2/c1-21(11-14-28(33)36-38(8,9)10)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(32-34-4)19-22(30)20-27(29)35-37(5,6)7/h19,21,24-27,29H,11-18,20H2,1-10H3/b32-23+/t21?,24-,25?,26?,27?,29?,30+,31-/m1/s1.

What are the key properties of trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate?

trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate has a molecular weight of 561.96 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl 4-[(3E,7R,10R,13R,17R)-3-methoxyimino-10,13-dimethyl-7-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate is sourced from PubChem (CID 91750724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).