1,1,1-triethoxybut-3-en-2-yloxysilane

C10H22O4Si — CID 123147680

IUPAC1,1,1-triethoxybut-3-en-2-yloxysilane
SMILESC=CC(O[SiH3])C(OCC)(OCC)OCC
InChIInChI=1S/C10H22O4Si/c1-5-9(14-15)10(11-6-2,12-7-3)13-8-4/h5,9H,1,6-8H2,2-4,15H3
InChIKeyBVQNBONTAHHCBJ-UHFFFAOYSA-N
MW234.37 g/mol
LogP0.60
Rot. Bonds9

About 1,1,1-triethoxybut-3-en-2-yloxysilane

1,1,1-triethoxybut-3-en-2-yloxysilane (PubChem CID 123147680) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 1,1,1-triethoxybut-3-en-2-yloxysilane.

Molecular Properties

Compound Name1,1,1-triethoxybut-3-en-2-yloxysilane
PubChem CID123147680
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name1,1,1-triethoxybut-3-en-2-yloxysilane
SMILESC=CC(O[SiH3])C(OCC)(OCC)OCC
InChIInChI=1S/C10H22O4Si/c1-5-9(14-15)10(11-6-2,12-7-3)13-8-4/h5,9H,1,6-8H2,2-4,15H3
InChIKeyBVQNBONTAHHCBJ-UHFFFAOYSA-N
XLogP0.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 1,1,1-triethoxybut-3-en-2-yloxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxybut-3-en-2-yloxysilane?
The IUPAC name of 1,1,1-triethoxybut-3-en-2-yloxysilane (CID 123147680) is 1,1,1-triethoxybut-3-en-2-yloxysilane.
What is the SMILES notation for 1,1,1-triethoxybut-3-en-2-yloxysilane?
The canonical SMILES for 1,1,1-triethoxybut-3-en-2-yloxysilane is C=CC(O[SiH3])C(OCC)(OCC)OCC.
What is the InChIKey of 1,1,1-triethoxybut-3-en-2-yloxysilane?
The InChIKey is BVQNBONTAHHCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-5-9(14-15)10(11-6-2,12-7-3)13-8-4/h5,9H,1,6-8H2,2-4,15H3.
What are the key properties of 1,1,1-triethoxybut-3-en-2-yloxysilane?
1,1,1-triethoxybut-3-en-2-yloxysilane has a molecular weight of 234.37 g/mol, XLogP of 0.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxybut-3-en-2-yloxysilane is sourced from PubChem (CID 123147680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).