tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate

C32H47NO4Si — CID 69492727

IUPACtert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate
SMILESCCC(C)(NC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-9-32(8,29(35)36-30(2,3)4)33-28(34)24-17-16-18-25(23-24)37-38(31(5,6)7,26-19-12-10-13-20-26)27-21-14-11-15-22-27/h10-15,19-22,24-25H,9,16-18,23H2,1-8H3,(H,33,34)
InChIKeyLCCPCESOAYPZJN-UHFFFAOYSA-N
MW537.82 g/mol
LogP5.75
Rot. Bonds8

About tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate

tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate (PubChem CID 69492727) has the molecular formula C32H47NO4Si and a molecular weight of 537.82 g/mol. Its IUPAC name is tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate
PubChem CID69492727
Molecular FormulaC32H47NO4Si
Molecular Weight537.82 g/mol
Exact Mass537.33
IUPAC Nametert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate
SMILESCCC(C)(NC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-9-32(8,29(35)36-30(2,3)4)33-28(34)24-17-16-18-25(23-24)37-38(31(5,6)7,26-19-12-10-13-20-26)27-21-14-11-15-22-27/h10-15,19-22,24-25H,9,16-18,23H2,1-8H3,(H,33,34)
InChIKeyLCCPCESOAYPZJN-UHFFFAOYSA-N
XLogP5.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.82
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate?
The IUPAC name of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate (CID 69492727) is tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate.
What is the SMILES notation for tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate?
The canonical SMILES for tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate is CCC(C)(NC(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate?
The InChIKey is LCCPCESOAYPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO4Si/c1-9-32(8,29(35)36-30(2,3)4)33-28(34)24-17-16-18-25(23-24)37-38(31(5,6)7,26-19-12-10-13-20-26)27-21-14-11-15-22-27/h10-15,19-22,24-25H,9,16-18,23H2,1-8H3,(H,33,34).
What are the key properties of tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate?
tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate has a molecular weight of 537.82 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate is sourced from PubChem (CID 69492727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).