tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane

C15H25NO4Si — CID 69453503

IUPACtert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
SMILESCc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H25NO4Si/c1-12-7-8-13(11-14(12)16(17)18)19-9-10-20-21(5,6)15(2,3)4/h7-8,11H,9-10H2,1-6H3
InChIKeyNUXCZGXRCPSVHT-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane

tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane (PubChem CID 69453503) has the molecular formula C15H25NO4Si and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
PubChem CID69453503
Molecular FormulaC15H25NO4Si
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Nametert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
SMILESCc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H25NO4Si/c1-12-7-8-13(11-14(12)16(17)18)19-9-10-20-21(5,6)15(2,3)4/h7-8,11H,9-10H2,1-6H3
InChIKeyNUXCZGXRCPSVHT-UHFFFAOYSA-N
XLogP4.30
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414
1-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]-2-nitrophenyl]prop-2-en-1-one
CID 54251521
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
CID 171727294
[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-nitrophenyl]methyl benzoate
CID 11683438
2-amino-2-methyl-4-(4-methyl-3-nitrophenoxy)butanenitrile
CID 114252585
1-methyl-2-nitro-4-prop-2-enoxybenzene
CID 66739699
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane
CID 58200284
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
2-methyl-5-(3-morpholin-4-ylpropoxy)aniline;4-[3-(4-methyl-3-nitrophenoxy)propyl]morpholine
CID 159360431
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane (CID 69453503) is tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane is Cc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane?
The InChIKey is NUXCZGXRCPSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4Si/c1-12-7-8-13(11-14(12)16(17)18)19-9-10-20-21(5,6)15(2,3)4/h7-8,11H,9-10H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane?
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane has a molecular weight of 311.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane is sourced from PubChem (CID 69453503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).