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

C15H21BO2 — CID 23088099

IUPAC4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
SMILESCc1ccccc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H21BO2/c1-12-8-6-7-9-13(12)10-11-16-17-14(2,3)15(4,5)18-16/h6-11H,1-5H3/b11-10+
InChIKeyWWEMUFCPAKBVKQ-ZHACJKMWSA-N
MW244.14 g/mol
LogP3.64
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane (PubChem CID 23088099) has the molecular formula C15H21BO2 and a molecular weight of 244.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
PubChem CID23088099
Molecular FormulaC15H21BO2
Molecular Weight244.14 g/mol
Exact Mass244.16
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
SMILESCc1ccccc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H21BO2/c1-12-8-6-7-9-13(12)10-11-16-17-14(2,3)15(4,5)18-16/h6-11H,1-5H3/b11-10+
InChIKeyWWEMUFCPAKBVKQ-ZHACJKMWSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 53.64
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-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11989651
4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane
CID 5708413
4,4,5,5-Tetramethyl-2-(4-nonylphenyl)-1,3,2-dioxaborolane
CID 57391611
2-(4'-Fluoro-[1,1'-biphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57396519
(E)-2-(2,4-Difluorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 16218154
Phenylboronic acid pinacol ester
CID 570673
3,4-Dimethylphenylboronic acid
CID 2734348
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 2734625
4-tert-Butylphenylboronic acid pinacol ester
CID 2757248
4,4,5,5-Tetramethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborolane
CID 2760174
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 2760590
4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane
CID 2760598

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane (CID 23088099) is 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane is Cc1ccccc1/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane?
The InChIKey is WWEMUFCPAKBVKQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21BO2/c1-12-8-6-7-9-13(12)10-11-16-17-14(2,3)15(4,5)18-16/h6-11H,1-5H3/b11-10+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane has a molecular weight of 244.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 23088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).