3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane

C12H22O2Si — CID 87912615

IUPAC3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane
SMILESC=CC(C=C)(C=C)[Si](C)(OCC)OCC
InChIInChI=1S/C12H22O2Si/c1-7-12(8-2,9-3)15(6,13-10-4)14-11-5/h7-9H,1-3,10-11H2,4-6H3
InChIKeyXHPCIZVPKWPLCU-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.43
Rot. Bonds8

About 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane

3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane (PubChem CID 87912615) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane.

Molecular Properties

Compound Name3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane
PubChem CID87912615
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane
SMILESC=CC(C=C)(C=C)[Si](C)(OCC)OCC
InChIInChI=1S/C12H22O2Si/c1-7-12(8-2,9-3)15(6,13-10-4)14-11-5/h7-9H,1-3,10-11H2,4-6H3
InChIKeyXHPCIZVPKWPLCU-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallyldiethoxysilane
CID 259628
3-Butenyltriethoxysilane
CID 11009451
Silane, diethoxymethyl-2-propen-1-yl-
CID 87620
(But-3-enyloxy)(tert-butyl)dimethylsilane
CID 10008065
Silane, (1,1-dimethylethyl)dimethyl(4-pentenyloxy)-
CID 10987285
[(But-3-en-2-yl)oxy](tert-butyl)dimethylsilane
CID 13307471
Silane, dimethyldi(but-3-enyloxy)-
CID 12929517
5-Hexenyltriethoxysilane
CID 22145149
Trimethyl(3-methylbut-1-enoxy)silane
CID 85247119
Silane, (1,1-dimethylethyl)[(1-ethenyl-2-propenyl)oxy]dimethyl-
CID 356107
Triisopropyl(4-penten-1-yloxy)silane
CID 11017069
trimethyl-[(Z)-3-methylbut-1-enoxy]silane
CID 134875805

Frequently Asked Questions

What is the IUPAC name of 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane?
The IUPAC name of 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane (CID 87912615) is 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane.
What is the SMILES notation for 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane?
The canonical SMILES for 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane is C=CC(C=C)(C=C)[Si](C)(OCC)OCC.
What is the InChIKey of 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane?
The InChIKey is XHPCIZVPKWPLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-12(8-2,9-3)15(6,13-10-4)14-11-5/h7-9H,1-3,10-11H2,4-6H3.
What are the key properties of 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane?
3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane has a molecular weight of 226.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpenta-1,4-dien-3-yl-diethoxy-methylsilane is sourced from PubChem (CID 87912615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).