4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane

C18H21BO2 — CID 130115797

IUPAC4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/c2cccc3ccccc23)OC1(C)C
InChIInChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,1-4H3/b13-12+
InChIKeyYGJUCDURNWXFFM-OUKQBFOZSA-N
MW280.18 g/mol
LogP4.48
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane (PubChem CID 130115797) has the molecular formula C18H21BO2 and a molecular weight of 280.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane
PubChem CID130115797
Molecular FormulaC18H21BO2
Molecular Weight280.18 g/mol
Exact Mass280.16
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/c2cccc3ccccc23)OC1(C)C
InChIInChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,1-4H3/b13-12+
InChIKeyYGJUCDURNWXFFM-OUKQBFOZSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane (CID 130115797) is 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane is CC1(C)OB(/C=C/c2cccc3ccccc23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane?
The InChIKey is YGJUCDURNWXFFM-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,1-4H3/b13-12+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane has a molecular weight of 280.18 g/mol, XLogP of 4.48, 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)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 130115797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).