[(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane

C25H48O3Si — CID 10812279

About [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane

[(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10812279) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10812279
• Molecular Formula: C25H48O3Si
• Molecular Weight: 424.74 g/mol
• Exact Mass: 424.34
• IUPAC Name: [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: COCOC(C)(C)CCC/C=C1/CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
• InChI: InChI=1S/C25H48O3Si/c1-23(2,3)29(8,9)28-22-14-12-18-25(6)20(15-16-21(22)25)13-10-11-17-24(4,5)27-19-26-7/h13,21-22H,10-12,14-19H2,1-9H3/b20-13-/t21-,22-,25+/m0/s1
• InChIKey: JBZXUXWMJBMNGM-HOTOGQNJSA-N
• XLogP: 7.47
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.74
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane (CID 10812279) is [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane is COCOC(C)(C)CCC/C=C1/CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.

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

The InChIKey is JBZXUXWMJBMNGM-HOTOGQNJSA-N. The full InChI is InChI=1S/C25H48O3Si/c1-23(2,3)29(8,9)28-22-14-12-18-25(6)20(15-16-21(22)25)13-10-11-17-24(4,5)27-19-26-7/h13,21-22H,10-12,14-19H2,1-9H3/b20-13-/t21-,22-,25+/m0/s1.

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

[(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 424.74 g/mol, XLogP of 7.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1Z,3aR,4S,7aS)-1-[5-(methoxymethoxy)-5-methylhexylidene]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10812279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).