[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane

C12H23BO2Si — CID 102476375

IUPAC[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane
SMILESCC[Si](/C=C/C=C/B1OCCO1)(CC)CC
InChIInChI=1S/C12H23BO2Si/c1-4-16(5-2,6-3)12-8-7-9-13-14-10-11-15-13/h7-9,12H,4-6,10-11H2,1-3H3/b9-7+,12-8+
InChIKeyMMXGVKRLXOCZGK-BRVZEXMBSA-N
MW238.21 g/mol
LogP3.22
Rot. Bonds6

About [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane

[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane (PubChem CID 102476375) has the molecular formula C12H23BO2Si and a molecular weight of 238.21 g/mol. Its IUPAC name is [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane.

Molecular Properties

Compound Name[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane
PubChem CID102476375
Molecular FormulaC12H23BO2Si
Molecular Weight238.21 g/mol
Exact Mass238.16
IUPAC Name[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane
SMILESCC[Si](/C=C/C=C/B1OCCO1)(CC)CC
InChIInChI=1S/C12H23BO2Si/c1-4-16(5-2,6-3)12-8-7-9-13-14-10-11-15-13/h7-9,12H,4-6,10-11H2,1-3H3/b9-7+,12-8+
InChIKeyMMXGVKRLXOCZGK-BRVZEXMBSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane 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 [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane?
The IUPAC name of [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane (CID 102476375) is [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane.
What is the SMILES notation for [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane?
The canonical SMILES for [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane is CC[Si](/C=C/C=C/B1OCCO1)(CC)CC.
What is the InChIKey of [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane?
The InChIKey is MMXGVKRLXOCZGK-BRVZEXMBSA-N. The full InChI is InChI=1S/C12H23BO2Si/c1-4-16(5-2,6-3)12-8-7-9-13-14-10-11-15-13/h7-9,12H,4-6,10-11H2,1-3H3/b9-7+,12-8+.
What are the key properties of [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane?
[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane has a molecular weight of 238.21 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-triethylsilane is sourced from PubChem (CID 102476375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).