4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane

C16H23BO2 — CID 102483613

IUPAC4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C/B1OC(C)(C)C(C)(C)O1)Cc1ccccc1
InChIInChI=1S/C16H23BO2/c1-13(11-14-9-7-6-8-10-14)12-17-18-15(2,3)16(4,5)19-17/h6-10,12H,11H2,1-5H3/b13-12-
InChIKeyQHWODASTKLXVGL-SEYXRHQNSA-N
MW258.17 g/mol
LogP3.81
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane (PubChem CID 102483613) has the molecular formula C16H23BO2 and a molecular weight of 258.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
PubChem CID102483613
Molecular FormulaC16H23BO2
Molecular Weight258.17 g/mol
Exact Mass258.18
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C/B1OC(C)(C)C(C)(C)O1)Cc1ccccc1
InChIInChI=1S/C16H23BO2/c1-13(11-14-9-7-6-8-10-14)12-17-18-15(2,3)16(4,5)19-17/h6-10,12H,11H2,1-5H3/b13-12-
InChIKeyQHWODASTKLXVGL-SEYXRHQNSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 53.81
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

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
trimethyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
CID 102226563
2-(2-benzyl-1-fluoro-3-phenylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111964
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
2-[(2Z)-2,3-dibenzylhepta-2,6-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177485824
trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
CID 134904347
2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130951837
[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane
CID 102283711
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
4,4,5,5-tetramethyl-2-[(1E,3E)-6-phenylhexa-1,3-dienyl]-1,3,2-dioxaborolane
CID 12023376
2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46220785

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane (CID 102483613) is 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane is C/C(=C/B1OC(C)(C)C(C)(C)O1)Cc1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is QHWODASTKLXVGL-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H23BO2/c1-13(11-14-9-7-6-8-10-14)12-17-18-15(2,3)16(4,5)19-17/h6-10,12H,11H2,1-5H3/b13-12-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 258.17 g/mol, XLogP of 3.81, 3 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-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102483613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).