4,4,4-triethoxybut-2-enylsilane

C10H22O3Si — CID 123479876

IUPAC4,4,4-triethoxybut-2-enylsilane
SMILESCCOC(C=CC[SiH3])(OCC)OCC
InChIInChI=1S/C10H22O3Si/c1-4-11-10(12-5-2,13-6-3)8-7-9-14/h7-8H,4-6,9H2,1-3,14H3
InChIKeyVCGYKSFBTQNGKO-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.09
Rot. Bonds8

About 4,4,4-triethoxybut-2-enylsilane

4,4,4-triethoxybut-2-enylsilane (PubChem CID 123479876) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 4,4,4-triethoxybut-2-enylsilane.

Molecular Properties

Compound Name4,4,4-triethoxybut-2-enylsilane
PubChem CID123479876
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name4,4,4-triethoxybut-2-enylsilane
SMILESCCOC(C=CC[SiH3])(OCC)OCC
InChIInChI=1S/C10H22O3Si/c1-4-11-10(12-5-2,13-6-3)8-7-9-14/h7-8H,4-6,9H2,1-3,14H3
InChIKeyVCGYKSFBTQNGKO-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-triethoxybut-2-enylsilane?
The IUPAC name of 4,4,4-triethoxybut-2-enylsilane (CID 123479876) is 4,4,4-triethoxybut-2-enylsilane.
What is the SMILES notation for 4,4,4-triethoxybut-2-enylsilane?
The canonical SMILES for 4,4,4-triethoxybut-2-enylsilane is CCOC(C=CC[SiH3])(OCC)OCC.
What is the InChIKey of 4,4,4-triethoxybut-2-enylsilane?
The InChIKey is VCGYKSFBTQNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-4-11-10(12-5-2,13-6-3)8-7-9-14/h7-8H,4-6,9H2,1-3,14H3.
What are the key properties of 4,4,4-triethoxybut-2-enylsilane?
4,4,4-triethoxybut-2-enylsilane has a molecular weight of 218.37 g/mol, XLogP of 1.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-triethoxybut-2-enylsilane is sourced from PubChem (CID 123479876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).