2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BCl2O2 — CID 71739201

IUPAC2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2c(Cl)cccc2Cl)OC1(C)C
InChIInChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
InChIKeyWKXMSUKHFIHUEW-UHFFFAOYSA-N
MW272.97 g/mol
LogP3.29
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 71739201) has the molecular formula C12H15BCl2O2 and a molecular weight of 272.97 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID71739201
Molecular FormulaC12H15BCl2O2
Molecular Weight272.97 g/mol
Exact Mass272.05
IUPAC Name2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2c(Cl)cccc2Cl)OC1(C)C
InChIInChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
InChIKeyWKXMSUKHFIHUEW-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.97
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2758200
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10633712
(E)-2-(4-Chlorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11021782
2-(3,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15906196
2-[(E)-2-(3-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 16218161
2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23005421
2-(4-Chlorophenyl)ethylboronic acid pinacol ester
CID 46221962
2-(2,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416222
(E)-2-(4-(3,5-dichlorostyryl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57390251
2-((E)-2-(2-chlorophenyl)ethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72942450
2-(3-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10037225
2-(3-Chloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23445107

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 71739201) is 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2c(Cl)cccc2Cl)OC1(C)C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WKXMSUKHFIHUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3.
What are the key properties of 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 272.97 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 71739201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).