[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane

C11H22O3Si — CID 11333703

IUPAC[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OCC)O[Si](C)(C)C)OCC
InChIInChI=1S/C11H22O3Si/c1-7-12-10(3)9-11(13-8-2)14-15(4,5)6/h9H,3,7-8H2,1-2,4-6H3/b11-9+
InChIKeyVHHCTVQSTNKXIP-PKNBQFBNSA-N
MW230.38 g/mol
LogP3.27
Rot. Bonds7

About [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane

[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 11333703) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID11333703
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OCC)O[Si](C)(C)C)OCC
InChIInChI=1S/C11H22O3Si/c1-7-12-10(3)9-11(13-8-2)14-15(4,5)6/h9H,3,7-8H2,1-2,4-6H3/b11-9+
InChIKeyVHHCTVQSTNKXIP-PKNBQFBNSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.27
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
Sqsrjgigiqcygy-uhfffaoysa-
CID 10104705
(4Z)-4-Methoxy-2,2,8,8-tetramethyl-6-methylene-3,7-dioxa-2,8-disilanon-4-ene
CID 11010738
(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
[(1Z)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane
CID 10420891
1,1-Dimethoxy-3-(trimethylsiloxy)-1,3-butadiene
CID 11030896
(E)-4-Methoxy-2,2,8,8-tetramethyl-6-methylene-3,7-dioxa-2,8-disilanon-4-ene
CID 11097322
[(1Z)-1-ethoxybuta-1,3-dienoxy]-trimethylsilane
CID 11148143
[(1E)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11196611
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11380327

Frequently Asked Questions

What is the IUPAC name of [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane (CID 11333703) is [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane is C=C(/C=C(\OCC)O[Si](C)(C)C)OCC.
What is the InChIKey of [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is VHHCTVQSTNKXIP-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-12-10(3)9-11(13-8-2)14-15(4,5)6/h9H,3,7-8H2,1-2,4-6H3/b11-9+.
What are the key properties of [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane?
[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 230.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 11333703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).