2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H18BClO2 — CID 72942450

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/c2ccccc2Cl)OC1(C)C
InChIInChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-7-5-6-8-12(11)16/h5-10H,1-4H3/b10-9+
InChIKeyLSWXAAQYYFRGPI-MDZDMXLPSA-N
MW264.56 g/mol
LogP3.98
Rot. Bonds2

About 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 72942450) has the molecular formula C14H18BClO2 and a molecular weight of 264.56 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID72942450
Molecular FormulaC14H18BClO2
Molecular Weight264.56 g/mol
Exact Mass264.11
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/c2ccccc2Cl)OC1(C)C
InChIInChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-7-5-6-8-12(11)16/h5-10H,1-4H3/b10-9+
InChIKeyLSWXAAQYYFRGPI-MDZDMXLPSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.56
LogP ≤ 53.98
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

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CID 5708413
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CID 3786632
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CID 2758200
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CID 2760598
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CID 2774016
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CID 3864964
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CID 10633712
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CID 10704008
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CID 11021782
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CID 16218161
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CID 23005421
CID 23005421

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 72942450) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C/c2ccccc2Cl)OC1(C)C.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LSWXAAQYYFRGPI-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-7-5-6-8-12(11)16/h5-10H,1-4H3/b10-9+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.56 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 72942450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).