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

C30H58O2Si2 — CID 57299336

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

[6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 57299336) has the molecular formula C30H58O2Si2 and a molecular weight of 506.96 g/mol. Its IUPAC name is [6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 57299336
• Molecular Formula: C30H58O2Si2
• Molecular Weight: 506.96 g/mol
• Exact Mass: 506.40
• IUPAC Name: [6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=CC(CC=CC12CCCC1CC(O[Si](C)(C)C(C)(C)C)C2)(CCCC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H58O2Si2/c1-13-15-21-30(14-2,32-34(11,12)28(6,7)8)22-17-20-29-19-16-18-25(29)23-26(24-29)31-33(9,10)27(3,4)5/h14,17,20,25-26H,2,13,15-16,18-19,21-24H2,1,3-12H3
• InChIKey: HCGZOVHOTKZIQQ-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.96
LogP ≤ 5	10.04
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-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 57299336) is [6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane.

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

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

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

The InChIKey is HCGZOVHOTKZIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O2Si2/c1-13-15-21-30(14-2,32-34(11,12)28(6,7)8)22-17-20-29-19-16-18-25(29)23-26(24-29)31-33(9,10)27(3,4)5/h14,17,20,25-26H,2,13,15-16,18-19,21-24H2,1,3-12H3.

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

[6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 506.96 g/mol, XLogP of 10.04, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57299336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).