4,4,5,5-Tetramethyl-2-[(1E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
PubChem CID
11042960
Structure
Molecular Formula
Synonyms
- 149777-84-4
- 4-METHYL-BETA-STYRYLBORONIC ACID PINACOL ESTER
- (E)-4,4,5,5-Tetramethyl-2-(4-methylstyryl)-1,3,2-dioxaborolane
- 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-2-(4-methylphenyl)ethenyl]-
- 4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
Molecular Weight
244.14 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-10-26
- Modify:2025-01-04
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element
4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H21BO2/c1-12-6-8-13(9-7-12)10-11-16-17-14(2,3)15(4,5)18-16/h6-11H,1-5H3/b11-10+
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
HHBWKASJNTZJLB-ZHACJKMWSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H21BO2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 149777-84-4
- 4-METHYL-BETA-STYRYLBORONIC ACID PINACOL ESTER
- (E)-4,4,5,5-Tetramethyl-2-(4-methylstyryl)-1,3,2-dioxaborolane
- 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-2-(4-methylphenyl)ethenyl]-
- 4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
- 4,4,5,5-Tetramethyl-2-(4-methylstyryl)-1,3,2-dioxaborolane
- 4,4,5,5-tetramethyl-2-[(1E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
- 4,4,5,5-tetramethyl-2-[2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
- 4,4,5,5-Tetramethyl-2-((1E)-2-(4-methylphenyl)ethenyl)-1,3,2-dioxaborolane
- MFCD03788749
- SCHEMBL11959549
- SCHEMBL13721880
- 4,4,5,5-Tetramethyl-2-[(1Z)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane
- ZFA77784
- AKOS024259076
- AT16304
- AS-73414
- CS-0376902
- EN300-802096
- 4-Methyl- beta -styrylboronic acid pinacol ester
- J-008621
- 2-[2-(4-Methylphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 2-[(E)-2-P-TOLYLETHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
- 1377187-54-6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
244.14 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
244.1634601 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
244.1634601 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
18.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
298
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HHBWKASJNTZJLB-ZHACJKMWSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/4,4,5,5-Tetramethyl-2-[(1E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolanehttps://commonchemistry.cas.org/detail?cas_rn=149777-84-4
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBase(E)-4,4,5,5-tetramethyl-2-(4-methylstyryl)-1,3,2-dioxaborolanehttps://spectrabase.com/spectrum/7ipxHR0Y0Wx(E)-4,4,5,5-Tetramethyl-2-(4-methylstyryl)-1,3,2-dioxaborolanehttps://spectrabase.com/spectrum/Dvd2kvwaOCG
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wiley
- PubChem
- PATENTSCOPE (WIPO)SID 393253505https://pubchem.ncbi.nlm.nih.gov/substance/393253505
CONTENTS