tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane

C20H29FO3Si — CID 171613475

IUPACtert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane
SMILESCOCOc1ccc2c(CCO[Si](C)(C)C(C)(C)C)c(F)ccc2c1
InChIInChI=1S/C20H29FO3Si/c1-20(2,3)25(5,6)24-12-11-18-17-9-8-16(23-14-22-4)13-15(17)7-10-19(18)21/h7-10,13H,11-12,14H2,1-6H3
InChIKeyHFSMYGAXKSOOMJ-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.53
Rot. Bonds7

About tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane (PubChem CID 171613475) has the molecular formula C20H29FO3Si and a molecular weight of 364.53 g/mol. Its IUPAC name is tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane
PubChem CID171613475
Molecular FormulaC20H29FO3Si
Molecular Weight364.53 g/mol
Exact Mass364.19
IUPAC Nametert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane
SMILESCOCOc1ccc2c(CCO[Si](C)(C)C(C)(C)C)c(F)ccc2c1
InChIInChI=1S/C20H29FO3Si/c1-20(2,3)25(5,6)24-12-11-18-17-9-8-16(23-14-22-4)13-15(17)7-10-19(18)21/h7-10,13H,11-12,14H2,1-6H3
InChIKeyHFSMYGAXKSOOMJ-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613136
tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613311
tert-butyl-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-dimethylsilane
CID 86731309
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
CID 146377288
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414
1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane
CID 152674428
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
3-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy-tri(propan-2-yl)silane
CID 177327511
tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
CID 176655957

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane (CID 171613475) is tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane is COCOc1ccc2c(CCO[Si](C)(C)C(C)(C)C)c(F)ccc2c1.
What is the InChIKey of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane?
The InChIKey is HFSMYGAXKSOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FO3Si/c1-20(2,3)25(5,6)24-12-11-18-17-9-8-16(23-14-22-4)13-15(17)7-10-19(18)21/h7-10,13H,11-12,14H2,1-6H3.
What are the key properties of tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane has a molecular weight of 364.53 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 171613475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).