tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane

C12H18ClNO3Si — CID 125116636

IUPACtert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H18ClNO3Si/c1-12(2,3)18(4,5)17-11-8-9(14(15)16)6-7-10(11)13/h6-8H,1-5H3
InChIKeyVIKNQTXOINNOCD-UHFFFAOYSA-N
MW287.82 g/mol
LogP4.63
Rot. Bonds3

About tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane

tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane (PubChem CID 125116636) has the molecular formula C12H18ClNO3Si and a molecular weight of 287.82 g/mol. Its IUPAC name is tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
PubChem CID125116636
Molecular FormulaC12H18ClNO3Si
Molecular Weight287.82 g/mol
Exact Mass287.07
IUPAC Nametert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H18ClNO3Si/c1-12(2,3)18(4,5)17-11-8-9(14(15)16)6-7-10(11)13/h6-8H,1-5H3
InChIKeyVIKNQTXOINNOCD-UHFFFAOYSA-N
XLogP4.63
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
CID 167724908
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane
CID 18942791
potassium (2-chloro-5-nitrophenyl) sulfite
CID 175273368
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
1-chloro-4-nitro-2-pent-2-en-3-yloxybenzene
CID 57060162
N-tert-butyl-2-[(2-chloro-5-nitrophenoxy)methyl]prop-2-en-1-amine
CID 103067268
1-[4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-3-[(2-chloro-5-nitrophenyl)methyl]urea
CID 11271220
2-[(2-chloro-5-nitrophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 79484247

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane (CID 125116636) is tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane?
The InChIKey is VIKNQTXOINNOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3Si/c1-12(2,3)18(4,5)17-11-8-9(14(15)16)6-7-10(11)13/h6-8H,1-5H3.
What are the key properties of tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane?
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane has a molecular weight of 287.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane is sourced from PubChem (CID 125116636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).