tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane

C26H40BFO5Si — CID 171613145

IUPACtert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane
SMILESCOCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(CCO[Si](C)(C)C(C)(C)C)c(F)ccc2c1
InChIInChI=1S/C26H40BFO5Si/c1-24(2,3)34(9,10)31-14-13-20-22(28)12-11-18-15-19(30-17-29-8)16-21(23(18)20)27-32-25(4,5)26(6,7)33-27/h11-12,15-16H,13-14,17H2,1-10H3
InChIKeyCMOMELIPWXHLLH-UHFFFAOYSA-N
MW490.50 g/mol
LogP5.83
Rot. Bonds8

About tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane (PubChem CID 171613145) has the molecular formula C26H40BFO5Si and a molecular weight of 490.50 g/mol. Its IUPAC name is tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane
PubChem CID171613145
Molecular FormulaC26H40BFO5Si
Molecular Weight490.50 g/mol
Exact Mass490.27
IUPAC Nametert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane
SMILESCOCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(CCO[Si](C)(C)C(C)(C)C)c(F)ccc2c1
InChIInChI=1S/C26H40BFO5Si/c1-24(2,3)34(9,10)31-14-13-20-22(28)12-11-18-15-19(30-17-29-8)16-21(23(18)20)27-32-25(4,5)26(6,7)33-27/h11-12,15-16H,13-14,17H2,1-10H3
InChIKeyCMOMELIPWXHLLH-UHFFFAOYSA-N
XLogP5.83
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane (CID 171613145) is tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane is COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(CCO[Si](C)(C)C(C)(C)C)c(F)ccc2c1.
What is the InChIKey of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane?
The InChIKey is CMOMELIPWXHLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40BFO5Si/c1-24(2,3)34(9,10)31-14-13-20-22(28)12-11-18-15-19(30-17-29-8)16-21(23(18)20)27-32-25(4,5)26(6,7)33-27/h11-12,15-16H,13-14,17H2,1-10H3.
What are the key properties of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane has a molecular weight of 490.50 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 171613145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).