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

C9H18O3Si — CID 10867392

IUPAC[(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OC)O[Si](C)(C)C)OC
InChIInChI=1S/C9H18O3Si/c1-8(10-2)7-9(11-3)12-13(4,5)6/h7H,1H2,2-6H3/b9-7+
InChIKeyIXZKGTYBQWJMGE-VQHVLOKHSA-N
MW202.33 g/mol
LogP2.49
Rot. Bonds5

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

[(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 10867392) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID10867392
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name[(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OC)O[Si](C)(C)C)OC
InChIInChI=1S/C9H18O3Si/c1-8(10-2)7-9(11-3)12-13(4,5)6/h7H,1H2,2-6H3/b9-7+
InChIKeyIXZKGTYBQWJMGE-VQHVLOKHSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.49
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-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
[(1Z)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane
CID 10420891
1-Trimethylsilyloxy-1-methoxybuta-1,3-diene
CID 10899145
[(1Z)-1-methoxybuta-1,3-dienoxy]-trimethylsilane
CID 10920981
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
[(1E)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11196611
[(1E)-1,3-diethoxybuta-1,3-dienoxy]-trimethylsilane
CID 11333703
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11380327

Frequently Asked Questions

What is the IUPAC name of [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane (CID 10867392) is [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane is C=C(/C=C(\OC)O[Si](C)(C)C)OC.
What is the InChIKey of [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is IXZKGTYBQWJMGE-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-8(10-2)7-9(11-3)12-13(4,5)6/h7H,1H2,2-6H3/b9-7+.
What are the key properties of [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane?
[(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 202.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1,3-dimethoxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 10867392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).