N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide

C25H32Cl3NO2Si — CID 11318238

IUPACN-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide
SMILESC=C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32Cl3NO2Si/c1-7-22(29-23(30)25(26,27)28)18(2)19(3)31-32(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-19,22H,1H2,2-6H3,(H,29,30)/t18-,19-,22-/m1/s1
InChIKeyODFDUIGCCWFQBS-WOIUINJBSA-N
MW512.98 g/mol
LogP5.63
Rot. Bonds8

About N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide

N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide (PubChem CID 11318238) has the molecular formula C25H32Cl3NO2Si and a molecular weight of 512.98 g/mol. Its IUPAC name is N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide
PubChem CID11318238
Molecular FormulaC25H32Cl3NO2Si
Molecular Weight512.98 g/mol
Exact Mass511.13
IUPAC NameN-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide
SMILESC=C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32Cl3NO2Si/c1-7-22(29-23(30)25(26,27)28)18(2)19(3)31-32(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-19,22H,1H2,2-6H3,(H,29,30)/t18-,19-,22-/m1/s1
InChIKeyODFDUIGCCWFQBS-WOIUINJBSA-N
XLogP5.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.98
LogP ≤ 55.63
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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Related Compounds

(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
N-[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 100993402
(1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 101072666
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate
CID 67134844
tert-butyl N-[(2S,3R)-1-phenyl-3-[(2,2,2-trichloroacetyl)amino]pent-4-en-2-yl]carbamate
CID 14931010
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide
CID 53360567
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide (CID 11318238) is N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide is C=C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H](C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide?
The InChIKey is ODFDUIGCCWFQBS-WOIUINJBSA-N. The full InChI is InChI=1S/C25H32Cl3NO2Si/c1-7-22(29-23(30)25(26,27)28)18(2)19(3)31-32(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-19,22H,1H2,2-6H3,(H,29,30)/t18-,19-,22-/m1/s1.
What are the key properties of N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide?
N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide has a molecular weight of 512.98 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 11318238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).