2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane

C17H40O3Si4 — CID 20701630

IUPAC2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC1CC=CCC1)O[Si](C)(C)C
InChIInChI=1S/C17H40O3Si4/c1-21(2,3)18-23(7,8)20-24(9,19-22(4,5)6)16-15-17-13-11-10-12-14-17/h10-11,17H,12-16H2,1-9H3
InChIKeyUKNUYMMZWCPDTF-UHFFFAOYSA-N
MW404.85 g/mol
LogP6.23
Rot. Bonds9

About 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane

2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane (PubChem CID 20701630) has the molecular formula C17H40O3Si4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane
PubChem CID20701630
Molecular FormulaC17H40O3Si4
Molecular Weight404.85 g/mol
Exact Mass404.21
IUPAC Name2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC1CC=CCC1)O[Si](C)(C)C
InChIInChI=1S/C17H40O3Si4/c1-21(2,3)18-23(7,8)20-24(9,19-22(4,5)6)16-15-17-13-11-10-12-14-17/h10-11,17H,12-16H2,1-9H3
InChIKeyUKNUYMMZWCPDTF-UHFFFAOYSA-N
XLogP6.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane?
The IUPAC name of 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane (CID 20701630) is 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane.
What is the SMILES notation for 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane?
The canonical SMILES for 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC1CC=CCC1)O[Si](C)(C)C.
What is the InChIKey of 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane?
The InChIKey is UKNUYMMZWCPDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O3Si4/c1-21(2,3)18-23(7,8)20-24(9,19-22(4,5)6)16-15-17-13-11-10-12-14-17/h10-11,17H,12-16H2,1-9H3.
What are the key properties of 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane?
2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane has a molecular weight of 404.85 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilane is sourced from PubChem (CID 20701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).