[(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane

C13H24O4Si — CID 54753912

IUPAC[(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OC)O[Si](C)(C)C)CC1(C)OCCO1
InChIInChI=1S/C13H24O4Si/c1-11(10-13(2)15-7-8-16-13)9-12(14-3)17-18(4,5)6/h9H,1,7-8,10H2,2-6H3/b12-9+
InChIKeyICWKPRQKZDCKMZ-FMIVXFBMSA-N
MW272.42 g/mol
LogP3.04
Rot. Bonds6

About [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane

[(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane (PubChem CID 54753912) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane
PubChem CID54753912
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name[(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OC)O[Si](C)(C)C)CC1(C)OCCO1
InChIInChI=1S/C13H24O4Si/c1-11(10-13(2)15-7-8-16-13)9-12(14-3)17-18(4,5)6/h9H,1,7-8,10H2,2-6H3/b12-9+
InChIKeyICWKPRQKZDCKMZ-FMIVXFBMSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane (CID 54753912) is [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane is C=C(/C=C(\OC)O[Si](C)(C)C)CC1(C)OCCO1.
What is the InChIKey of [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane?
The InChIKey is ICWKPRQKZDCKMZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-11(10-13(2)15-7-8-16-13)9-12(14-3)17-18(4,5)6/h9H,1,7-8,10H2,2-6H3/b12-9+.
What are the key properties of [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane?
[(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane has a molecular weight of 272.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-methoxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]buta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 54753912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).