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

C26H32N2O2Si — CID 89387475

IUPAC1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde
SMILESCC(C)(C)[Si](OC1CCC(n2cnc(C=O)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O2Si/c1-26(2,3)31(24-10-6-4-7-11-24,25-12-8-5-9-13-25)30-23-16-14-22(15-17-23)28-18-21(19-29)27-20-28/h4-13,18-20,22-23H,14-17H2,1-3H3
InChIKeyYBUXWWLWIOLOOR-UHFFFAOYSA-N
MW432.64 g/mol
LogP4.76
Rot. Bonds6

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

1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde (PubChem CID 89387475) has the molecular formula C26H32N2O2Si and a molecular weight of 432.64 g/mol. Its IUPAC name is 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde
PubChem CID89387475
Molecular FormulaC26H32N2O2Si
Molecular Weight432.64 g/mol
Exact Mass432.22
IUPAC Name1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde
SMILESCC(C)(C)[Si](OC1CCC(n2cnc(C=O)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O2Si/c1-26(2,3)31(24-10-6-4-7-11-24,25-12-8-5-9-13-25)30-23-16-14-22(15-17-23)28-18-21(19-29)27-20-28/h4-13,18-20,22-23H,14-17H2,1-3H3
InChIKeyYBUXWWLWIOLOOR-UHFFFAOYSA-N
XLogP4.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde?
The IUPAC name of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde (CID 89387475) is 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde?
The canonical SMILES for 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde is CC(C)(C)[Si](OC1CCC(n2cnc(C=O)c2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde?
The InChIKey is YBUXWWLWIOLOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2Si/c1-26(2,3)31(24-10-6-4-7-11-24,25-12-8-5-9-13-25)30-23-16-14-22(15-17-23)28-18-21(19-29)27-20-28/h4-13,18-20,22-23H,14-17H2,1-3H3.
What are the key properties of 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde?
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde has a molecular weight of 432.64 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 89387475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).