[(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane

C27H31BO2Si — CID 134903887

IUPAC[(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane
SMILESCCCCCC/C(=C/B1Oc2ccccc2O1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31BO2Si/c1-3-4-5-8-19-25(22-28-29-26-20-13-14-21-27(26)30-28)31(2,23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-7,9-18,20-22H,3-5,8,19H2,1-2H3/b25-22-
InChIKeyUICRAZJHHQRNOQ-LVWGJNHUSA-N
MW426.44 g/mol
LogP5.81
Rot. Bonds9

About [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane

[(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane (PubChem CID 134903887) has the molecular formula C27H31BO2Si and a molecular weight of 426.44 g/mol. Its IUPAC name is [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane
PubChem CID134903887
Molecular FormulaC27H31BO2Si
Molecular Weight426.44 g/mol
Exact Mass426.22
IUPAC Name[(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane
SMILESCCCCCC/C(=C/B1Oc2ccccc2O1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31BO2Si/c1-3-4-5-8-19-25(22-28-29-26-20-13-14-21-27(26)30-28)31(2,23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-7,9-18,20-22H,3-5,8,19H2,1-2H3/b25-22-
InChIKeyUICRAZJHHQRNOQ-LVWGJNHUSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane 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 [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane?
The IUPAC name of [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane (CID 134903887) is [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane.
What is the SMILES notation for [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane?
The canonical SMILES for [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane is CCCCCC/C(=C/B1Oc2ccccc2O1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane?
The InChIKey is UICRAZJHHQRNOQ-LVWGJNHUSA-N. The full InChI is InChI=1S/C27H31BO2Si/c1-3-4-5-8-19-25(22-28-29-26-20-13-14-21-27(26)30-28)31(2,23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-7,9-18,20-22H,3-5,8,19H2,1-2H3/b25-22-.
What are the key properties of [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane?
[(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane has a molecular weight of 426.44 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(1,3,2-benzodioxaborol-2-yl)oct-1-en-2-yl]-methyl-diphenylsilane is sourced from PubChem (CID 134903887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).