tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane

C19H34O3Si — CID 21061811

IUPACtert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane
SMILESC#CCC(CCC1OC(C)(C)OC1C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-10-12-15(22-23(8,9)18(3,4)5)13-14-17-16(11-2)20-19(6,7)21-17/h1,11,15-17H,2,12-14H2,3-9H3
InChIKeyAQWOFUYLKLIGPG-UHFFFAOYSA-N
MW338.56 g/mol
LogP4.89
Rot. Bonds7

About tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane

tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane (PubChem CID 21061811) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane
PubChem CID21061811
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nametert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane
SMILESC#CCC(CCC1OC(C)(C)OC1C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-10-12-15(22-23(8,9)18(3,4)5)13-14-17-16(11-2)20-19(6,7)21-17/h1,11,15-17H,2,12-14H2,3-9H3
InChIKeyAQWOFUYLKLIGPG-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.89
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10990553
tert-butyl-[(1S,3S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethynyl-3-triethylsilyloxyhept-6-enoxy]-dimethylsilane
CID 101154481
tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
7-(2-Methyl-1,3-dioxolan-2-yl)hept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11660419
5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoic acid
CID 11211251
(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one
CID 11212379
[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate
CID 11282371
tert-butyl-[1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-yn-3-yloxy]-dimethylsilane
CID 58714741
(1R,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one
CID 91097886
[(4R,5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;tert-butyl-[1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-yn-3-yloxy]-dimethylsilane
CID 161250175
tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10892299
carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate
CID 11320152

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane (CID 21061811) is tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane is C#CCC(CCC1OC(C)(C)OC1C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane?
The InChIKey is AQWOFUYLKLIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-10-12-15(22-23(8,9)18(3,4)5)13-14-17-16(11-2)20-19(6,7)21-17/h1,11,15-17H,2,12-14H2,3-9H3.
What are the key properties of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane?
tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane has a molecular weight of 338.56 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-yn-3-yloxy]-dimethylsilane is sourced from PubChem (CID 21061811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).