tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane

C12H24O3Si — CID 10868539

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

About tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane

tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane (PubChem CID 10868539) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane
PubChem CID10868539
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane
SMILESC=C(C=C(OC)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(9-11(13-5)14-6)15-16(7,8)12(2,3)4/h9H,1H2,2-8H3
InChIKeyNTWWOMYFNIFSLG-UHFFFAOYSA-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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Related Compounds

1,3-Dimethoxy-1-trimethylsiloxy-1,3-butadiene, (1E)-
CID 10867392
1-Methoxy-1,3-bis(trimethylsilyloxy)-1,3-butadiene
CID 53415030
(4Z)-4-Methoxy-2,2,8,8-tetramethyl-6-methylene-3,7-dioxa-2,8-disilanon-4-ene
CID 11010738
tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane
CID 11042502
(Z)-((1,3-Dimethoxybuta-1,3-dien-1-yl)oxy)trimethylsilane
CID 11084905
Tert-butyl-[(2,2-dimethyl-6-methylidene-1,3-dioxin-4-yl)oxy]-dimethylsilane
CID 11184431
tert-butyl-[(E)-1-methoxyprop-1-enoxy]-dimethylsilane
CID 11264143
tert-butyl-dimethyl-[(1Z)-1-[(2-methylpropan-2-yl)oxy]buta-1,3-dienoxy]silane
CID 146018189
Tert-butyl-(4-methoxybuta-1,3-dien-2-yloxy)-dimethylsilane
CID 4060963
trans-3-(tert-Butyldimethylsilyloxy)-1-methoxy-1,3-butadiene
CID 6000481
tert-butyl-[(1Z)-1-methoxybuta-1,3-dienoxy]-dimethylsilane
CID 10998393
1,1-Dimethoxy-3-(trimethylsiloxy)-1,3-butadiene
CID 11030896

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane (CID 10868539) is tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane is C=C(C=C(OC)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane?
The InChIKey is NTWWOMYFNIFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(9-11(13-5)14-6)15-16(7,8)12(2,3)4/h9H,1H2,2-8H3.
What are the key properties of tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane?
tert-butyl-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-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-(4,4-dimethoxybuta-1,3-dien-2-yloxy)-dimethylsilane is sourced from PubChem (CID 10868539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).