tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane

C24H46O2Si2 — CID 11327674

About tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane

tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane (PubChem CID 11327674) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane
• PubChem CID: 11327674
• Molecular Formula: C24H46O2Si2
• Molecular Weight: 422.80 g/mol
• Exact Mass: 422.30
• IUPAC Name: tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane
• SMILES: C=C1CCCC2=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC12C
• InChI: InChI=1S/C24H46O2Si2/c1-18-14-13-15-19-16-20(25-27(9,10)22(2,3)4)21(17-24(18,19)8)26-28(11,12)23(5,6)7/h16,20-21H,1,13-15,17H2,2-12H3
• InChIKey: JOWSJIXELXHMGY-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.80
LogP ≤ 5	7.84
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 tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane (CID 11327674) is tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane is C=C1CCCC2=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC12C.

What is the InChIKey of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane?

The InChIKey is JOWSJIXELXHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-18-14-13-15-19-16-20(25-27(9,10)22(2,3)4)21(17-24(18,19)8)26-28(11,12)23(5,6)7/h16,20-21H,1,13-15,17H2,2-12H3.

What are the key properties of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane?

tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane has a molecular weight of 422.80 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11327674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).