trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane

C19H32O2Si2 — CID 16745116

IUPACtrimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane
SMILESC=CCC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)OC1CCCCO1
InChIInChI=1S/C19H32O2Si2/c1-8-12-19(13-16-22(2,3)4,14-17-23(5,6)7)21-18-11-9-10-15-20-18/h8,18H,1,9-12,15H2,2-7H3
InChIKeyQSZUFNLEFOHIFZ-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.61
Rot. Bonds4

About trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane

trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane (PubChem CID 16745116) has the molecular formula C19H32O2Si2 and a molecular weight of 348.64 g/mol. Its IUPAC name is trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane
PubChem CID16745116
Molecular FormulaC19H32O2Si2
Molecular Weight348.64 g/mol
Exact Mass348.19
IUPAC Nametrimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane
SMILESC=CCC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)OC1CCCCO1
InChIInChI=1S/C19H32O2Si2/c1-8-12-19(13-16-22(2,3)4,14-17-23(5,6)7)21-18-11-9-10-15-20-18/h8,18H,1,9-12,15H2,2-7H3
InChIKeyQSZUFNLEFOHIFZ-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
CID 11326882
(Z)-trimethyl(3-(tetrahydro-2H-pyran-2-yloxy)non-5-en-1-ynyl)silane
CID 59180087
trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane
CID 66874183
Trimethyl-[3-(oxan-2-yloxy)non-5-en-1-ynyl]silane
CID 66874186
trimethyl-[(Z)-8-(oxan-2-yloxy)oct-5-en-1-ynyl]silane
CID 150002070

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane?
The IUPAC name of trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane (CID 16745116) is trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane is C=CCC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)OC1CCCCO1.
What is the InChIKey of trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane?
The InChIKey is QSZUFNLEFOHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si2/c1-8-12-19(13-16-22(2,3)4,14-17-23(5,6)7)21-18-11-9-10-15-20-18/h8,18H,1,9-12,15H2,2-7H3.
What are the key properties of trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane?
trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane has a molecular weight of 348.64 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane is sourced from PubChem (CID 16745116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).