[(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane

C31H61BrO2Si2 — CID 10886548

About [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10886548) has the molecular formula C31H61BrO2Si2 and a molecular weight of 601.90 g/mol. Its IUPAC name is [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10886548
• Molecular Formula: C31H61BrO2Si2
• Molecular Weight: 601.90 g/mol
• Exact Mass: 600.34
• IUPAC Name: [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C[C@H](CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2/C(=C/Br)CCC[C@]12C
• InChI: InChI=1S/C31H61BrO2Si2/c1-23(25-18-19-26-24(22-32)16-15-21-31(25,26)10)17-20-27(33-35(11,12)28(2,3)4)30(8,9)34-36(13,14)29(5,6)7/h22-23,25-27H,15-21H2,1-14H3/b24-22+/t23-,25-,26+,27+,31-/m1/s1
• InChIKey: DJCGNIUQJGEPND-KMLRARFPSA-N
• XLogP: 11.09
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.90
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane (CID 10886548) is [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane is C[C@H](CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2/C(=C/Br)CCC[C@]12C.

What is the InChIKey of [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is DJCGNIUQJGEPND-KMLRARFPSA-N. The full InChI is InChI=1S/C31H61BrO2Si2/c1-23(25-18-19-26-24(22-32)16-15-21-31(25,26)10)17-20-27(33-35(11,12)28(2,3)4)30(8,9)34-36(13,14)29(5,6)7/h22-23,25-27H,15-21H2,1-14H3/b24-22+/t23-,25-,26+,27+,31-/m1/s1.

What are the key properties of [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane?

[(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 601.90 g/mol, XLogP of 11.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10886548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).