tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane

C16H23N3O3Si — CID 169013499

IUPACtert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1nccn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H23N3O3Si/c1-16(2,3)23(4,5)22-12-15-17-10-11-18(15)13-6-8-14(9-7-13)19(20)21/h6-11H,12H2,1-5H3
InChIKeyDZRFVIUQVLMHMW-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.30
Rot. Bonds5

About tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane

tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane (PubChem CID 169013499) has the molecular formula C16H23N3O3Si and a molecular weight of 333.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
PubChem CID169013499
Molecular FormulaC16H23N3O3Si
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nametert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1nccn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H23N3O3Si/c1-16(2,3)23(4,5)22-12-15-17-10-11-18(15)13-6-8-14(9-7-13)19(20)21/h6-11H,12H2,1-5H3
InChIKeyDZRFVIUQVLMHMW-UHFFFAOYSA-N
XLogP4.30
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane
CID 176705511
tert-butyl-dimethyl-[(7-nitro-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)methoxy]silane
CID 70284906
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
CID 11268145
tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane
CID 177135121
1-(4-nitrophenyl)pyrimidin-2-one
CID 59260079
tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane
CID 23529504
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
CID 168827188
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane (CID 169013499) is tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1nccn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane?
The InChIKey is DZRFVIUQVLMHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3Si/c1-16(2,3)23(4,5)22-12-15-17-10-11-18(15)13-6-8-14(9-7-13)19(20)21/h6-11H,12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane has a molecular weight of 333.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane is sourced from PubChem (CID 169013499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).