tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane

C20H38O3Si2 — CID 102494284

IUPACtert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
SMILESC=CC1OC(C)(C)OC1C(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si2/c1-12-16-18(22-20(5,6)21-16)17(14-13-15-24(7,8)9)23-25(10,11)19(2,3)4/h12,16-18H,1,14H2,2-11H3
InChIKeyJBEKIUVCGPXOPX-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.35
Rot. Bonds5

About tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane

tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane (PubChem CID 102494284) has the molecular formula C20H38O3Si2 and a molecular weight of 382.69 g/mol. Its IUPAC name is tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
PubChem CID102494284
Molecular FormulaC20H38O3Si2
Molecular Weight382.69 g/mol
Exact Mass382.24
IUPAC Nametert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
SMILESC=CC1OC(C)(C)OC1C(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si2/c1-12-16-18(22-20(5,6)21-16)17(14-13-15-24(7,8)9)23-25(10,11)19(2,3)4/h12,16-18H,1,14H2,2-11H3
InChIKeyJBEKIUVCGPXOPX-UHFFFAOYSA-N
XLogP5.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane (CID 102494284) is tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane is C=CC1OC(C)(C)OC1C(CC#C[Si](C)(C)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)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
The InChIKey is JBEKIUVCGPXOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si2/c1-12-16-18(22-20(5,6)21-16)17(14-13-15-24(7,8)9)23-25(10,11)19(2,3)4/h12,16-18H,1,14H2,2-11H3.
What are the key properties of tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane has a molecular weight of 382.69 g/mol, XLogP of 5.35, 5 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)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 102494284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).