N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide

C23H26Cl3NO2Si — CID 101357737

IUPACN-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide
SMILESCC(C)(C)[Si](O[C@@H]1CC=C[C@H]1NC(=O)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26Cl3NO2Si/c1-22(2,3)30(17-11-6-4-7-12-17,18-13-8-5-9-14-18)29-20-16-10-15-19(20)27-21(28)23(24,25)26/h4-15,19-20H,16H2,1-3H3,(H,27,28)/t19-,20-/m1/s1
InChIKeyVQYRBLUXPBQADD-WOJBJXKFSA-N
MW482.91 g/mol
LogP4.75
Rot. Bonds5

About N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide

N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide (PubChem CID 101357737) has the molecular formula C23H26Cl3NO2Si and a molecular weight of 482.91 g/mol. Its IUPAC name is N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide
PubChem CID101357737
Molecular FormulaC23H26Cl3NO2Si
Molecular Weight482.91 g/mol
Exact Mass481.08
IUPAC NameN-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide
SMILESCC(C)(C)[Si](O[C@@H]1CC=C[C@H]1NC(=O)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26Cl3NO2Si/c1-22(2,3)30(17-11-6-4-7-12-17,18-13-8-5-9-14-18)29-20-16-10-15-19(20)27-21(28)23(24,25)26/h4-15,19-20H,16H2,1-3H3,(H,27,28)/t19-,20-/m1/s1
InChIKeyVQYRBLUXPBQADD-WOJBJXKFSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide (CID 101357737) is N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide is CC(C)(C)[Si](O[C@@H]1CC=C[C@H]1NC(=O)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide?
The InChIKey is VQYRBLUXPBQADD-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H26Cl3NO2Si/c1-22(2,3)30(17-11-6-4-7-12-17,18-13-8-5-9-14-18)29-20-16-10-15-19(20)27-21(28)23(24,25)26/h4-15,19-20H,16H2,1-3H3,(H,27,28)/t19-,20-/m1/s1.
What are the key properties of N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide?
N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide has a molecular weight of 482.91 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-5-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-yl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 101357737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).