N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide

C24H30F3NO2Si — CID 23657254

IUPACN-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C24H30F3NO2Si/c1-19(28-22(29)24(25,26)27)13-11-12-18-30-31(23(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-11,13-17,19H,12,18H2,1-4H3,(H,28,29)/b13-11+/t19-/m0/s1
InChIKeyZYYSKEDOXOKYJL-BPOBUFBUSA-N
MW449.59 g/mol
LogP4.58
Rot. Bonds8

About N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide

N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 23657254) has the molecular formula C24H30F3NO2Si and a molecular weight of 449.59 g/mol. Its IUPAC name is N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide
PubChem CID23657254
Molecular FormulaC24H30F3NO2Si
Molecular Weight449.59 g/mol
Exact Mass449.20
IUPAC NameN-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C24H30F3NO2Si/c1-19(28-22(29)24(25,26)27)13-11-12-18-30-31(23(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-11,13-17,19H,12,18H2,1-4H3,(H,28,29)/b13-11+/t19-/m0/s1
InChIKeyZYYSKEDOXOKYJL-BPOBUFBUSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide (CID 23657254) is N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide is C[C@@H](/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ZYYSKEDOXOKYJL-BPOBUFBUSA-N. The full InChI is InChI=1S/C24H30F3NO2Si/c1-19(28-22(29)24(25,26)27)13-11-12-18-30-31(23(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-11,13-17,19H,12,18H2,1-4H3,(H,28,29)/b13-11+/t19-/m0/s1.
What are the key properties of N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide?
N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 449.59 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23657254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).