tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane

C22H42O2Si2 — CID 54491488

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 54491488) has the molecular formula C22H42O2Si2 and a molecular weight of 394.75 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane
• PubChem CID: 54491488
• Molecular Formula: C22H42O2Si2
• Molecular Weight: 394.75 g/mol
• Exact Mass: 394.27
• IUPAC Name: tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane
• SMILES: C=CC=C1CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C1=C
• InChI: InChI=1S/C22H42O2Si2/c1-13-14-18-15-19(23-25(9,10)21(3,4)5)16-20(17(18)2)24-26(11,12)22(6,7)8/h13-14,19-20H,1-2,15-16H2,3-12H3
• InChIKey: XWARZYZRTRFJMC-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.75
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane (CID 54491488) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane is C=CC=C1CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C1=C.

What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane?

The InChIKey is XWARZYZRTRFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si2/c1-13-14-18-15-19(23-25(9,10)21(3,4)5)16-20(17(18)2)24-26(11,12)22(6,7)8/h13-14,19-20H,1-2,15-16H2,3-12H3.

What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane?

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 394.75 g/mol, XLogP of 7.23, 5 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-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 54491488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).