tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane

C12H24O3Si — CID 10988528

IUPACtert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane
SMILESC=C(/C=C(/OC)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C12H24O3Si/c1-10(13-5)9-11(14-6)15-16(7,8)12(2,3)4/h9H,1H2,2-8H3/b11-9-
InChIKeyDPOCRFJHNZWMAV-LUAWRHEFSA-N
MW244.41 g/mol
LogP3.66
Rot. Bonds5

About tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane

tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane (PubChem CID 10988528) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane
PubChem CID10988528
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane
SMILESC=C(/C=C(/OC)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C12H24O3Si/c1-10(13-5)9-11(14-6)15-16(7,8)12(2,3)4/h9H,1H2,2-8H3/b11-9-
InChIKeyDPOCRFJHNZWMAV-LUAWRHEFSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.66
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane (CID 10988528) is tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane is C=C(/C=C(/OC)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane?
The InChIKey is DPOCRFJHNZWMAV-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(13-5)9-11(14-6)15-16(7,8)12(2,3)4/h9H,1H2,2-8H3/b11-9-.
What are the key properties of tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane?
tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane has a molecular weight of 244.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z)-1,3-dimethoxybuta-1,3-dienoxy]-dimethylsilane is sourced from PubChem (CID 10988528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).