2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C23H29BO2 — CID 46220785

IUPAC2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC/C(=C(\Cc1ccccc1)B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C23H29BO2/c1-6-20(19-15-11-8-12-16-19)21(17-18-13-9-7-10-14-18)24-25-22(2,3)23(4,5)26-24/h7-16H,6,17H2,1-5H3/b21-20-
InChIKeyVGTFPQGYTYKRFX-MRCUWXFGSA-N
MW348.30 g/mol
LogP5.72
Rot. Bonds5

About 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 46220785) has the molecular formula C23H29BO2 and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID46220785
Molecular FormulaC23H29BO2
Molecular Weight348.30 g/mol
Exact Mass348.23
IUPAC Name2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC/C(=C(\Cc1ccccc1)B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C23H29BO2/c1-6-20(19-15-11-8-12-16-19)21(17-18-13-9-7-10-14-18)24-25-22(2,3)23(4,5)26-24/h7-16H,6,17H2,1-5H3/b21-20-
InChIKeyVGTFPQGYTYKRFX-MRCUWXFGSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.30
LogP ≤ 55.72
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

4,4,5,5-tetramethyl-2-[4-phenyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-1,3,2-dioxaborolane
CID 132917896
2-(2-benzyl-1-fluoro-3-phenylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111964
(E)-N,N-dibenzyl-2,3-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 156693279
trimethyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
CID 102226563
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
[(E)-3-methyl-1-phenylpent-2-en-2-yl]benzene
CID 6432959
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 102483613
4,4,5,5-tetramethyl-2-[(3Z)-5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 122398650
ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
CID 70616201
methyl 4-[(Z)-1-cyclohexyl-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]benzoate
CID 135062354
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
CID 139833210

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 46220785) is 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC/C(=C(\Cc1ccccc1)B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VGTFPQGYTYKRFX-MRCUWXFGSA-N. The full InChI is InChI=1S/C23H29BO2/c1-6-20(19-15-11-8-12-16-19)21(17-18-13-9-7-10-14-18)24-25-22(2,3)23(4,5)26-24/h7-16H,6,17H2,1-5H3/b21-20-.
What are the key properties of 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 348.30 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 46220785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).