tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane

C14H28O2Si — CID 12929554

IUPACtert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane
SMILESCC=C=C(OC(C)OCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-11-13(16-12(3)15-10-2)17(7,8)14(4,5)6/h9,12H,10H2,1-8H3
InChIKeyJGSUVFPBAXWWKN-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.49
Rot. Bonds5

About tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane

tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane (PubChem CID 12929554) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane
PubChem CID12929554
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane
SMILESCC=C=C(OC(C)OCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-11-13(16-12(3)15-10-2)17(7,8)14(4,5)6/h9,12H,10H2,1-8H3
InChIKeyJGSUVFPBAXWWKN-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-Ethoxyethoxy)propa-1,2-dienyl-trimethylsilane
CID 12929549
Tert-butyl-[1-(1-ethoxyethoxy)propa-1,2-dienyl]-dimethylsilane
CID 12929550
1-(1-Ethoxyethoxy)buta-1,2-dienyl-trimethylsilane
CID 12929553
Tert-butyl-[1-(1-ethoxyethoxy)-3-methylselanylpropa-1,2-dienyl]-dimethylsilane
CID 12929561
[(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane
CID 14565406
(Z)-7,7-diethoxy-1-trimethylsilyl-3-hepten-1,5-diyne
CID 14565407
7,7-Diethoxyhept-3-en-1,5-diynyl(trimethyl)silane
CID 53694521
CID 57155170
CID 57155170
2-[Tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane
CID 87176343
1,1-Diethoxyethane;3-trimethylsilylbut-1-en-1-one
CID 88254765
CID 88361203
CID 88361203
2,2-Diethoxyethyl(prop-2-enyl)silane
CID 123601754

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane (CID 12929554) is tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane is CC=C=C(OC(C)OCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane?
The InChIKey is JGSUVFPBAXWWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-11-13(16-12(3)15-10-2)17(7,8)14(4,5)6/h9,12H,10H2,1-8H3.
What are the key properties of tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane?
tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane is sourced from PubChem (CID 12929554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).