2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H19BO2 — CID 23629516

IUPAC2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H19BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3
InChIKeyONBKTEDYJFZZCU-UHFFFAOYSA-N
MW230.12 g/mol
LogP2.63
Rot. Bonds2

About 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 23629516) has the molecular formula C14H19BO2 and a molecular weight of 230.12 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID23629516
Molecular FormulaC14H19BO2
Molecular Weight230.12 g/mol
Exact Mass230.15
IUPAC Name2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H19BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3
InChIKeyONBKTEDYJFZZCU-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 52.63
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

N-(4-ethenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 142373817
2-[3,5-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170692995
4,4,5,5-tetramethyl-2-[4-[4-[(Z)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 177481302
4,4,5,5-tetramethyl-2-[4-(2-methylprop-1-enyl)phenyl]-1,3,2-dioxaborolane
CID 58150672
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl]aniline
CID 72575172
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
CID 102196608
CID 102196608
2-ethenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 145214559
2-[4-(3-chloroprop-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169478276
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 23629516) is 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ONBKTEDYJFZZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3.
What are the key properties of 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 230.12 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 23629516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).