tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane

C16H27NO4Si — CID 171727294

IUPACtert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
SMILESCCCOc1ccc([N+](=O)[O-])c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H27NO4Si/c1-7-10-20-14-8-9-15(17(18)19)13(11-14)12-21-22(5,6)16(2,3)4/h8-9,11H,7,10,12H2,1-6H3
InChIKeyZQMAFEXBNSNOAI-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.91
Rot. Bonds7

About tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane

tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane (PubChem CID 171727294) has the molecular formula C16H27NO4Si and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
PubChem CID171727294
Molecular FormulaC16H27NO4Si
Molecular Weight325.48 g/mol
Exact Mass325.17
IUPAC Nametert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
SMILESCCCOc1ccc([N+](=O)[O-])c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H27NO4Si/c1-7-10-20-14-8-9-15(17(18)19)13(11-14)12-21-22(5,6)16(2,3)4/h8-9,11H,7,10,12H2,1-6H3
InChIKeyZQMAFEXBNSNOAI-UHFFFAOYSA-N
XLogP4.91
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-nitrophenyl]methyl benzoate
CID 11683438
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
1-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]-2-nitrophenyl]prop-2-en-1-one
CID 54251521
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
(5-chloro-2-nitrophenyl)methoxy-trimethylsilane
CID 91738137
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244
[5-(methoxymethoxy)-2-nitrophenyl]methyl-trimethylsilane
CID 11587103
3-(4-nitro-3-propoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 63676680
N-[2-(4-nitro-3-propoxyphenoxy)ethyl]propan-1-amine
CID 63677945
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-nitrophenyl]methyl methanesulfonate
CID 140809704

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane (CID 171727294) is tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane is CCCOc1ccc([N+](=O)[O-])c(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane?
The InChIKey is ZQMAFEXBNSNOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4Si/c1-7-10-20-14-8-9-15(17(18)19)13(11-14)12-21-22(5,6)16(2,3)4/h8-9,11H,7,10,12H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane?
tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane has a molecular weight of 325.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane is sourced from PubChem (CID 171727294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).