[6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane

C30H60O2Si2 — CID 54162250

About [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane

[6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 54162250) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 54162250
• Molecular Formula: C30H60O2Si2
• Molecular Weight: 508.98 g/mol
• Exact Mass: 508.41
• IUPAC Name: [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CCCCC(C)(C)C(C=CC12CCCC1CC(O[Si](C)(C)C(C)(C)C)C2)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H60O2Si2/c1-14-15-19-29(8,9)26(32-34(12,13)28(5,6)7)18-21-30-20-16-17-24(30)22-25(23-30)31-33(10,11)27(2,3)4/h18,21,24-26H,14-17,19-20,22-23H2,1-13H3
• InChIKey: OPGBAXWKBIYPLI-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.98
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 54162250) is [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane is CCCCC(C)(C)C(C=CC12CCCC1CC(O[Si](C)(C)C(C)(C)C)C2)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is OPGBAXWKBIYPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O2Si2/c1-14-15-19-29(8,9)26(32-34(12,13)28(5,6)7)18-21-30-20-16-17-24(30)22-25(23-30)31-33(10,11)27(2,3)4/h18,21,24-26H,14-17,19-20,22-23H2,1-13H3.

What are the key properties of [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?

[6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 508.98 g/mol, XLogP of 10.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 54162250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).