[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane

C38H71NO3Si2 — CID 174059097

About [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 174059097) has the molecular formula C38H71NO3Si2 and a molecular weight of 646.16 g/mol. Its IUPAC name is [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 174059097
• Molecular Formula: C38H71NO3Si2
• Molecular Weight: 646.16 g/mol
• Exact Mass: 645.50
• IUPAC Name: [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(CCN1CCOCC1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C
• InChI: InChI=1S/C38H71NO3Si2/c1-29(19-21-39-22-24-40-25-23-39)34-17-18-35-31(14-13-20-38(34,35)8)16-15-30-26-32(41-43(9,10)36(2,3)4)28-33(27-30)42-44(11,12)37(5,6)7/h15-16,29,32-35H,13-14,17-28H2,1-12H3/b31-16+/t29?,32-,33-,34-,35+,38-/m1/s1
• InChIKey: JGRKGCIPQZOBGP-HFTHZGHKSA-N
• XLogP: 10.38
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.16
LogP ≤ 5	10.38
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 [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane (CID 174059097) is [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane is CC(CCN1CCOCC1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C.

What is the InChIKey of [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is JGRKGCIPQZOBGP-HFTHZGHKSA-N. The full InChI is InChI=1S/C38H71NO3Si2/c1-29(19-21-39-22-24-40-25-23-39)34-17-18-35-31(14-13-20-38(34,35)8)16-15-30-26-32(41-43(9,10)36(2,3)4)28-33(27-30)42-44(11,12)37(5,6)7/h15-16,29,32-35H,13-14,17-28H2,1-12H3/b31-16+/t29?,32-,33-,34-,35+,38-/m1/s1.

What are the key properties of [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 646.16 g/mol, XLogP of 10.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(4-morpholin-4-ylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174059097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).