tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

C32H45NO6Si — CID 175007164

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C32H45NO6Si/c1-8-37-29(35)22-28(34)24-19-20-33(30(36)39-31(2,3)4)25(21-24)23-38-40(32(5,6)7,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,24-25H,8,19-23H2,1-7H3
InChIKeyPWUYPDAUHOVUTA-UHFFFAOYSA-N
MW567.80 g/mol
LogP5.10
Rot. Bonds9

About tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate (PubChem CID 175007164) has the molecular formula C32H45NO6Si and a molecular weight of 567.80 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
PubChem CID175007164
Molecular FormulaC32H45NO6Si
Molecular Weight567.80 g/mol
Exact Mass567.30
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C32H45NO6Si/c1-8-37-29(35)22-28(34)24-19-20-33(30(36)39-31(2,3)4)25(21-24)23-38-40(32(5,6)7,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,24-25H,8,19-23H2,1-7H3
InChIKeyPWUYPDAUHOVUTA-UHFFFAOYSA-N
XLogP5.10
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.80
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate (CID 175007164) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate is CCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate?
The InChIKey is PWUYPDAUHOVUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45NO6Si/c1-8-37-29(35)22-28(34)24-19-20-33(30(36)39-31(2,3)4)25(21-24)23-38-40(32(5,6)7,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,24-25H,8,19-23H2,1-7H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate has a molecular weight of 567.80 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate is sourced from PubChem (CID 175007164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).