[(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane

C25H47BrOSi — CID 10994339

About [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane

[(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane (PubChem CID 10994339) has the molecular formula C25H47BrOSi and a molecular weight of 471.64 g/mol. Its IUPAC name is [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
• PubChem CID: 10994339
• Molecular Formula: C25H47BrOSi
• Molecular Weight: 471.64 g/mol
• Exact Mass: 470.26
• IUPAC Name: [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
• SMILES: CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/Br)CCC[C@@]21C
• InChI: InChI=1S/C25H47BrOSi/c1-8-28(9-2,10-3)27-24(5,6)17-11-13-20(4)22-15-16-23-21(19-26)14-12-18-25(22,23)7/h19-20,22-23H,8-18H2,1-7H3/b21-19+/t20-,22-,23-,25-/m1/s1
• InChIKey: NERUOSNRKFXIDV-CEEBEEHXSA-N
• XLogP: 9.09
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.64
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane (CID 10994339) is [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane.

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

The canonical SMILES for [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/Br)CCC[C@@]21C.

What is the InChIKey of [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?

The InChIKey is NERUOSNRKFXIDV-CEEBEEHXSA-N. The full InChI is InChI=1S/C25H47BrOSi/c1-8-28(9-2,10-3)27-24(5,6)17-11-13-20(4)22-15-16-23-21(19-26)14-12-18-25(22,23)7/h19-20,22-23H,8-18H2,1-7H3/b21-19+/t20-,22-,23-,25-/m1/s1.

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

[(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane has a molecular weight of 471.64 g/mol, XLogP of 9.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-[(1R,3aS,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 10994339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).