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

C16H23BO2 — CID 11196194

IUPAC4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
SMILESC/C(B1OC(C)(C)C(C)(C)O1)=C(\C)c1ccccc1
InChIInChI=1S/C16H23BO2/c1-12(14-10-8-7-9-11-14)13(2)17-18-15(3,4)16(5,6)19-17/h7-11H,1-6H3/b13-12-
InChIKeyYXKZGPUMQNXBSH-SEYXRHQNSA-N
MW258.17 g/mol
LogP4.11
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane (PubChem CID 11196194) has the molecular formula C16H23BO2 and a molecular weight of 258.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
PubChem CID11196194
Molecular FormulaC16H23BO2
Molecular Weight258.17 g/mol
Exact Mass258.18
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
SMILESC/C(B1OC(C)(C)C(C)(C)O1)=C(\C)c1ccccc1
InChIInChI=1S/C16H23BO2/c1-12(14-10-8-7-9-11-14)13(2)17-18-15(3,4)16(5,6)19-17/h7-11H,1-6H3/b13-12-
InChIKeyYXKZGPUMQNXBSH-SEYXRHQNSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.11
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-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)-1,3,2-dioxaborolane
CID 171112040
2-[(2Z,5Z,7E)-5-fluoro-7-methyl-3,8-diphenylocta-2,5,7-trien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166448787
2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171113367
2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46220785
tritert-butyl-[(E)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]stannane
CID 71714704
4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-N-methylaniline
CID 171112272
2-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol
CID 171114579
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
CID 139833210
[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
CID 100945364
4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)sulfanyl-1,2-diphenylethenyl]-1,3,2-dioxaborolane
CID 171341442
dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane
CID 135061365

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane (CID 11196194) is 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane is C/C(B1OC(C)(C)C(C)(C)O1)=C(\C)c1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane?
The InChIKey is YXKZGPUMQNXBSH-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H23BO2/c1-12(14-10-8-7-9-11-14)13(2)17-18-15(3,4)16(5,6)19-17/h7-11H,1-6H3/b13-12-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane has a molecular weight of 258.17 g/mol, XLogP of 4.11, 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)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 11196194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).