tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane

C55H106O6Si2 — CID 54218448

About tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane

tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane (PubChem CID 54218448) has the molecular formula C55H106O6Si2 and a molecular weight of 919.62 g/mol. Its IUPAC name is tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane
• PubChem CID: 54218448
• Molecular Formula: C55H106O6Si2
• Molecular Weight: 919.62 g/mol
• Exact Mass: 918.75
• IUPAC Name: tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane
• SMILES: CCCCC(CCCC(C)(C)OCOC)C1=CCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C.COCOC(C)(C)CCC/C=C1/C(C)CC2C(O[Si](C)(C)C(C)(C)C)CCCC12C
• InChI: InChI=1S/C29H56O3Si.C26H50O3Si/c1-11-12-15-23(16-13-20-28(5,6)31-22-30-8)24-18-19-25-26(17-14-21-29(24,25)7)32-33(9,10)27(2,3)4;1-20-18-22-23(29-30(9,10)24(2,3)4)15-13-17-26(22,7)21(20)14-11-12-16-25(5,6)28-19-27-8/h18,23,25-26H,11-17,19-22H2,1-10H3;14,20,22-23H,11-13,15-19H2,1-10H3/b;21-14-
• InChIKey: QAUZPHGCSHGGNP-CNYSPKMFSA-N
• XLogP: 16.61
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.62
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane (CID 54218448) is tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane is CCCCC(CCCC(C)(C)OCOC)C1=CCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C.COCOC(C)(C)CCC/C=C1/C(C)CC2C(O[Si](C)(C)C(C)(C)C)CCCC12C.

What is the InChIKey of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane?

The InChIKey is QAUZPHGCSHGGNP-CNYSPKMFSA-N. The full InChI is InChI=1S/C29H56O3Si.C26H50O3Si/c1-11-12-15-23(16-13-20-28(5,6)31-22-30-8)24-18-19-25-26(17-14-21-29(24,25)7)32-33(9,10)27(2,3)4;1-20-18-22-23(29-30(9,10)24(2,3)4)15-13-17-26(22,7)21(20)14-11-12-16-25(5,6)28-19-27-8/h18,23,25-26H,11-17,19-22H2,1-10H3;14,20,22-23H,11-13,15-19H2,1-10H3/b;21-14-.

What are the key properties of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane?

tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane has a molecular weight of 919.62 g/mol, XLogP of 16.61, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 54218448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).