diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane

C13H19BO2 — CID 135076379

IUPACdiethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane
SMILESCCOB(/C=C/c1ccc(C)cc1)OCC
InChIInChI=1S/C13H19BO2/c1-4-15-14(16-5-2)11-10-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/b11-10+
InChIKeyKNRMFSASAGOYJV-ZHACJKMWSA-N
MW218.10 g/mol
LogP3.11
Rot. Bonds6

About diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane

diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane (PubChem CID 135076379) has the molecular formula C13H19BO2 and a molecular weight of 218.10 g/mol. Its IUPAC name is diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane.

Molecular Properties

Compound Namediethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane
PubChem CID135076379
Molecular FormulaC13H19BO2
Molecular Weight218.10 g/mol
Exact Mass218.15
IUPAC Namediethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane
SMILESCCOB(/C=C/c1ccc(C)cc1)OCC
InChIInChI=1S/C13H19BO2/c1-4-15-14(16-5-2)11-10-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/b11-10+
InChIKeyKNRMFSASAGOYJV-ZHACJKMWSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane with MolForge

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

Launch Full Analysis

Related Compounds

dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane
CID 134890605
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
4-(4-methylphenyl)but-3-ene-1-thiol
CID 170477722
1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 6147233
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
ethyl (E)-2,2-difluoro-4-(4-methylphenyl)but-3-enoate
CID 132937364
1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 58664971
ethyl (E,2S,3R)-2,3-dihydroxy-5-(4-methylphenyl)pent-4-enoate
CID 176649639

Frequently Asked Questions

What is the IUPAC name of diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane?
The IUPAC name of diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane (CID 135076379) is diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane.
What is the SMILES notation for diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane?
The canonical SMILES for diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane is CCOB(/C=C/c1ccc(C)cc1)OCC.
What is the InChIKey of diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane?
The InChIKey is KNRMFSASAGOYJV-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H19BO2/c1-4-15-14(16-5-2)11-10-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/b11-10+.
What are the key properties of diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane?
diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane has a molecular weight of 218.10 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane is sourced from PubChem (CID 135076379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).