tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane

C13H26O3Si — CID 102083309

IUPACtert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane
SMILESC=C(CC=C(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(9-10-12(14-5)15-6)16-17(7,8)13(2,3)4/h10H,1,9H2,2-8H3
InChIKeyRXBHEZHFDXTURU-UHFFFAOYSA-N
MW258.43 g/mol
LogP4.05
Rot. Bonds6

About tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane

tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane (PubChem CID 102083309) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane
PubChem CID102083309
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane
SMILESC=C(CC=C(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(9-10-12(14-5)15-6)16-17(7,8)13(2,3)4/h10H,1,9H2,2-8H3
InChIKeyRXBHEZHFDXTURU-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(1E,3E)-1-methoxypenta-1,3-dienoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane (CID 102083309) is tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane is C=C(CC=C(OC)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane?
The InChIKey is RXBHEZHFDXTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(9-10-12(14-5)15-6)16-17(7,8)13(2,3)4/h10H,1,9H2,2-8H3.
What are the key properties of tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane?
tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane is sourced from PubChem (CID 102083309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).