tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane

C17H32OSi2 — CID 15882041

IUPACtert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(C#C[Si](C)(C)C)CCC1
InChIInChI=1S/C17H32OSi2/c1-17(2,3)20(7,8)18-16-11-9-10-15(14-16)12-13-19(4,5)6/h14,16H,9-11H2,1-8H3
InChIKeyNWAUXYXLYXRRIS-UHFFFAOYSA-N
MW308.61 g/mol
LogP5.37
Rot. Bonds2

About tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane (PubChem CID 15882041) has the molecular formula C17H32OSi2 and a molecular weight of 308.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane
PubChem CID15882041
Molecular FormulaC17H32OSi2
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Nametert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(C#C[Si](C)(C)C)CCC1
InChIInChI=1S/C17H32OSi2/c1-17(2,3)20(7,8)18-16-11-9-10-15(14-16)12-13-19(4,5)6/h14,16H,9-11H2,1-8H3
InChIKeyNWAUXYXLYXRRIS-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.61
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11653175
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 13991703
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
1-(Cyclohexen-1-yl)but-3-ynoxy-triethylsilane
CID 135023459
[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135068814
tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
CID 138967347
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
CID 138967662
tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane
CID 138977047
trimethyl-[(Z)-1-trimethylsilyldec-3-en-1-yn-5-yl]oxysilane
CID 146162964
tert-butyl-[(Z)-dec-3-en-1-yn-5-yl]oxy-dimethylsilane
CID 146163106

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane (CID 15882041) is tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1C=C(C#C[Si](C)(C)C)CCC1.
What is the InChIKey of tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane?
The InChIKey is NWAUXYXLYXRRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi2/c1-17(2,3)20(7,8)18-16-11-9-10-15(14-16)12-13-19(4,5)6/h14,16H,9-11H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane has a molecular weight of 308.61 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 15882041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).