tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane

C22H38O3Si2 — CID 10835209

IUPACtert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane
SMILESCOc1cc(C(CO[Si](C)(C)C(C)(C)C)=C2CC2)c([Si](C)(C)C)cc1OC
InChIInChI=1S/C22H38O3Si2/c1-22(2,3)27(9,10)25-15-18(16-11-12-16)17-13-19(23-4)20(24-5)14-21(17)26(6,7)8/h13-14H,11-12,15H2,1-10H3
InChIKeyTVIAKSRUMVQJGO-UHFFFAOYSA-N
MW406.72 g/mol
LogP5.82
Rot. Bonds7

About tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane

tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane (PubChem CID 10835209) has the molecular formula C22H38O3Si2 and a molecular weight of 406.72 g/mol. Its IUPAC name is tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane
PubChem CID10835209
Molecular FormulaC22H38O3Si2
Molecular Weight406.72 g/mol
Exact Mass406.24
IUPAC Nametert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane
SMILESCOc1cc(C(CO[Si](C)(C)C(C)(C)C)=C2CC2)c([Si](C)(C)C)cc1OC
InChIInChI=1S/C22H38O3Si2/c1-22(2,3)27(9,10)25-15-18(16-11-12-16)17-13-19(23-4)20(24-5)14-21(17)26(6,7)8/h13-14H,11-12,15H2,1-10H3
InChIKeyTVIAKSRUMVQJGO-UHFFFAOYSA-N
XLogP5.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.72
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane (CID 10835209) is tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane is COc1cc(C(CO[Si](C)(C)C(C)(C)C)=C2CC2)c([Si](C)(C)C)cc1OC.
What is the InChIKey of tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane?
The InChIKey is TVIAKSRUMVQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3Si2/c1-22(2,3)27(9,10)25-15-18(16-11-12-16)17-13-19(23-4)20(24-5)14-21(17)26(6,7)8/h13-14H,11-12,15H2,1-10H3.
What are the key properties of tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane?
tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane has a molecular weight of 406.72 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-cyclopropylidene-2-(4,5-dimethoxy-2-trimethylsilylphenyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 10835209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).