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

C24H31BO2 — CID 154712426

IUPAC4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C\C(CB1OC(C)(C)C(C)(C)O1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C24H31BO2/c1-18-12-14-20(15-13-18)19(2)16-22(21-10-8-7-9-11-21)17-25-26-23(3,4)24(5,6)27-25/h7-16,22H,17H2,1-6H3/b19-16+
InChIKeyYDAUHPFXYICAPU-KNTRCKAVSA-N
MW362.32 g/mol
LogP6.27
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane (PubChem CID 154712426) has the molecular formula C24H31BO2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane
PubChem CID154712426
Molecular FormulaC24H31BO2
Molecular Weight362.32 g/mol
Exact Mass362.24
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C\C(CB1OC(C)(C)C(C)(C)O1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C24H31BO2/c1-18-12-14-20(15-13-18)19(2)16-22(21-10-8-7-9-11-21)17-25-26-23(3,4)24(5,6)27-25/h7-16,22H,17H2,1-6H3/b19-16+
InChIKeyYDAUHPFXYICAPU-KNTRCKAVSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 56.27
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-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154718674
4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane
CID 177396818
4,4,5,5-tetramethyl-2-[(E)-4-phenyl-2-propan-2-ylpent-3-enyl]-1,3,2-dioxaborolane
CID 154712132
1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
CID 132919216
4,4,5,5-tetramethyl-2-[(2R)-2-phenylbutyl]-1,3,2-dioxaborolane
CID 54597883
4-methyl-N-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzenesulfonamide
CID 102133707
trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane
CID 177455263
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
4,4,5,5-tetramethyl-2-[(2S)-2-(3-methylphenyl)propyl]-1,3,2-dioxaborolane
CID 57416215
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
methyl (2S)-2-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 132506308
dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane
CID 11259077

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane (CID 154712426) is 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane is C/C(=C\C(CB1OC(C)(C)C(C)(C)O1)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane?
The InChIKey is YDAUHPFXYICAPU-KNTRCKAVSA-N. The full InChI is InChI=1S/C24H31BO2/c1-18-12-14-20(15-13-18)19(2)16-22(21-10-8-7-9-11-21)17-25-26-23(3,4)24(5,6)27-25/h7-16,22H,17H2,1-6H3/b19-16+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane has a molecular weight of 362.32 g/mol, XLogP of 6.27, 5 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)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 154712426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).