tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane

C20H40O3Si — CID 10642036

IUPACtert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane
SMILESC=C(COC(C)OCC)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H40O3Si/c1-9-21-17(3)22-15-16(2)19(18-13-11-10-12-14-18)23-24(7,8)20(4,5)6/h17-19H,2,9-15H2,1,3-8H3
InChIKeyAOGDXQROTLLVSW-UHFFFAOYSA-N
MW356.62 g/mol
LogP5.91
Rot. Bonds9

About tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane

tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane (PubChem CID 10642036) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane
PubChem CID10642036
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Nametert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane
SMILESC=C(COC(C)OCC)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H40O3Si/c1-9-21-17(3)22-15-16(2)19(18-13-11-10-12-14-18)23-24(7,8)20(4,5)6/h17-19H,2,9-15H2,1,3-8H3
InChIKeyAOGDXQROTLLVSW-UHFFFAOYSA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane (CID 10642036) is tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane is C=C(COC(C)OCC)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane?
The InChIKey is AOGDXQROTLLVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-9-21-17(3)22-15-16(2)19(18-13-11-10-12-14-18)23-24(7,8)20(4,5)6/h17-19H,2,9-15H2,1,3-8H3.
What are the key properties of tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane?
tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane has a molecular weight of 356.62 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-cyclohexyl-2-(1-ethoxyethoxymethyl)prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10642036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).