[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

C11H23ClO3Si2 — CID 138969726

IUPAC[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCOC(=C/C(=C\Cl)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H23ClO3Si2/c1-13-11(15-17(5,6)7)8-10(9-12)14-16(2,3)4/h8-9H,1-7H3/b10-9+,11-8?
InChIKeyKUSQIQCZYDUMOF-SNTSVPHFSA-N
MW294.93 g/mol
LogP4.26
Rot. Bonds6

About [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 138969726) has the molecular formula C11H23ClO3Si2 and a molecular weight of 294.93 g/mol. Its IUPAC name is [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID138969726
Molecular FormulaC11H23ClO3Si2
Molecular Weight294.93 g/mol
Exact Mass294.09
IUPAC Name[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCOC(=C/C(=C\Cl)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H23ClO3Si2/c1-13-11(15-17(5,6)7)8-10(9-12)14-16(2,3)4/h8-9H,1-7H3/b10-9+,11-8?
InChIKeyKUSQIQCZYDUMOF-SNTSVPHFSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 54.26
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 [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (CID 138969726) is [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is COC(=C/C(=C\Cl)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is KUSQIQCZYDUMOF-SNTSVPHFSA-N. The full InChI is InChI=1S/C11H23ClO3Si2/c1-13-11(15-17(5,6)7)8-10(9-12)14-16(2,3)4/h8-9H,1-7H3/b10-9+,11-8?.
What are the key properties of [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 294.93 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 138969726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).