ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate

C28H36N2O3Si — CID 71223442

IUPACethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cn1
InChIInChI=1S/C28H36N2O3Si/c1-5-32-27(31)26-20-30(21-29-26)22-16-18-23(19-17-22)33-34(28(2,3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,20-23H,5,16-19H2,1-4H3
InChIKeyIPKKNGRGKOVKRO-UHFFFAOYSA-N
MW476.69 g/mol
LogP5.12
Rot. Bonds7

About ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate

ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate (PubChem CID 71223442) has the molecular formula C28H36N2O3Si and a molecular weight of 476.69 g/mol. Its IUPAC name is ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate
PubChem CID71223442
Molecular FormulaC28H36N2O3Si
Molecular Weight476.69 g/mol
Exact Mass476.25
IUPAC Nameethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cn1
InChIInChI=1S/C28H36N2O3Si/c1-5-32-27(31)26-20-30(21-29-26)22-16-18-23(19-17-22)33-34(28(2,3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,20-23H,5,16-19H2,1-4H3
InChIKeyIPKKNGRGKOVKRO-UHFFFAOYSA-N
XLogP5.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-Methylpiperidin-3-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
CID 3064162
Ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-fluoroimidazole-4-carboxylate
CID 176901614
Butyl 3-benzhydrylimidazole-4-carboxylate
CID 20377959
methyl (S)-1-[1-(tert-butyldimethylsilyloxy)-4-phenyl-2-butyl]imidazole-4-carboxylate
CID 53683119
Methyl 1-[1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-yl]imidazole-4-carboxylate
CID 57320173
ethyl 1-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexan-3-yl]imidazole-4-carboxylate
CID 69528011
ethyl 1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexyl]imidazole-4-carboxylate
CID 69528014
Ethyl 1-(trans-4-phenoxycyclohexyl)-1H-imidazole-4-carboxylate
CID 71223164
Ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexan-3-yl]imidazole-4-carboxylate
CID 77676583
1-[4-[Tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde
CID 89387475
Benzyl 1-cyclohexylimidazole-4-carboxylate
CID 141021644
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 141500686

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate (CID 71223442) is ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate is CCOC(=O)c1cn(C2CCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cn1.
What is the InChIKey of ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate?
The InChIKey is IPKKNGRGKOVKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3Si/c1-5-32-27(31)26-20-30(21-29-26)22-16-18-23(19-17-22)33-34(28(2,3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,20-23H,5,16-19H2,1-4H3.
What are the key properties of ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate?
ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate has a molecular weight of 476.69 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate is sourced from PubChem (CID 71223442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).