tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane

C16H26FNO5Si — CID 178155414

IUPACtert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOCCOc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H26FNO5Si/c1-16(2,3)24(4,5)23-11-9-21-8-10-22-13-6-7-14(17)15(12-13)18(19)20/h6-7,12H,8-11H2,1-5H3
InChIKeyIPSRVBSHDXCIRF-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.15
Rot. Bonds9

About tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane

tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane (PubChem CID 178155414) has the molecular formula C16H26FNO5Si and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
PubChem CID178155414
Molecular FormulaC16H26FNO5Si
Molecular Weight359.47 g/mol
Exact Mass359.16
IUPAC Nametert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOCCOc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H26FNO5Si/c1-16(2,3)24(4,5)23-11-9-21-8-10-22-13-6-7-14(17)15(12-13)18(19)20/h6-7,12H,8-11H2,1-5H3
InChIKeyIPSRVBSHDXCIRF-UHFFFAOYSA-N
XLogP4.15
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503
1-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]-2-nitrophenyl]prop-2-en-1-one
CID 54251521
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
CID 171727294
[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-nitrophenyl]methyl benzoate
CID 11683438
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244
tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 58324093
tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane
CID 169175784
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane (CID 178155414) is tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOCCOc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane?
The InChIKey is IPSRVBSHDXCIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO5Si/c1-16(2,3)24(4,5)23-11-9-21-8-10-22-13-6-7-14(17)15(12-13)18(19)20/h6-7,12H,8-11H2,1-5H3.
What are the key properties of tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane has a molecular weight of 359.47 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 178155414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).