4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane

C16H19BO2 — CID 2760174

IUPAC4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3ccccc23)OC1(C)C
InChIInChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3
InChIKeyWQGRAXGAXSNSDL-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.14
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane (PubChem CID 2760174) has the molecular formula C16H19BO2 and a molecular weight of 254.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
PubChem CID2760174
Molecular FormulaC16H19BO2
Molecular Weight254.14 g/mol
Exact Mass254.15
IUPAC Name4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3ccccc23)OC1(C)C
InChIInChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3
InChIKeyWQGRAXGAXSNSDL-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.14
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-naphthalen-1-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane (CID 2760174) is 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3ccccc23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?
The InChIKey is WQGRAXGAXSNSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane has a molecular weight of 254.14 g/mol, XLogP of 3.14, 1 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-naphthalen-1-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 2760174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).