4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane

C21H32B2O4 — CID 102365114

IUPAC4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
SMILESCc1cccc(C=C(B2OC(C)(C)C(C)(C)O2)B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C21H32B2O4/c1-15-11-10-12-16(13-15)14-17(22-24-18(2,3)19(4,5)25-22)23-26-20(6,7)21(8,9)27-23/h10-14H,1-9H3
InChIKeyWCJHRQDAJJLJRE-UHFFFAOYSA-N
MW370.11 g/mol
LogP4.64
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane (PubChem CID 102365114) has the molecular formula C21H32B2O4 and a molecular weight of 370.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
PubChem CID102365114
Molecular FormulaC21H32B2O4
Molecular Weight370.11 g/mol
Exact Mass370.25
IUPAC Name4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
SMILESCc1cccc(C=C(B2OC(C)(C)C(C)(C)O2)B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C21H32B2O4/c1-15-11-10-12-16(13-15)14-17(22-24-18(2,3)19(4,5)25-22)23-26-20(6,7)21(8,9)27-23/h10-14H,1-9H3
InChIKeyWCJHRQDAJJLJRE-UHFFFAOYSA-N
XLogP4.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane 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

2-[1-fluoro-2-(3-methylphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111261
4,4,5,5-tetramethyl-2-[(1E,3E)-4-(3-methylphenyl)buta-1,3-dienyl]-1,3,2-dioxaborolane
CID 139240145
2-[2-(3-bromophenyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111268
3-(3-bromophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802337
3-[3-sulfanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]benzaldehyde
CID 170802691
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(3-trimethylsilylphenyl)prop-2-ene-1-thiol
CID 170803307
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
2-[1-fluoro-2-[4-fluoro-3-(4-methylphenyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110953
3-(3-methoxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ene-1-thiol
CID 170802700
3-[3-(methylamino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]aniline
CID 170813970
2-(1-fluoro-2-naphthalen-2-ylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111326

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane (CID 102365114) is 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane is Cc1cccc(C=C(B2OC(C)(C)C(C)(C)O2)B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane?
The InChIKey is WCJHRQDAJJLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32B2O4/c1-15-11-10-12-16(13-15)14-17(22-24-18(2,3)19(4,5)25-22)23-26-20(6,7)21(8,9)27-23/h10-14H,1-9H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane has a molecular weight of 370.11 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[2-(3-methylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102365114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).