[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate

C24H38F3NO2Si — CID 135078716

IUPAC[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate
SMILESCC(C)[Si](OCC/N=C(/OC/C=C/CCc1ccccc1)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C24H38F3NO2Si/c1-19(2)31(20(3)4,21(5)6)30-18-16-28-23(24(25,26)27)29-17-12-8-11-15-22-13-9-7-10-14-22/h7-10,12-14,19-21H,11,15-18H2,1-6H3/b12-8+,28-23+
InChIKeyMKVSFPSUTUJQCJ-XKBWQVCYSA-N
MW457.65 g/mol
LogP7.34
Rot. Bonds12

About [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate

[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate (PubChem CID 135078716) has the molecular formula C24H38F3NO2Si and a molecular weight of 457.65 g/mol. Its IUPAC name is [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate.

Molecular Properties

Compound Name[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate
PubChem CID135078716
Molecular FormulaC24H38F3NO2Si
Molecular Weight457.65 g/mol
Exact Mass457.26
IUPAC Name[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate
SMILESCC(C)[Si](OCC/N=C(/OC/C=C/CCc1ccccc1)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C24H38F3NO2Si/c1-19(2)31(20(3)4,21(5)6)30-18-16-28-23(24(25,26)27)29-17-12-8-11-15-22-13-9-7-10-14-22/h7-10,12-14,19-21H,11,15-18H2,1-6H3/b12-8+,28-23+
InChIKeyMKVSFPSUTUJQCJ-XKBWQVCYSA-N
XLogP7.34
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.65
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E,2R)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 101524508
[(E,2S)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 101524514
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-(3-methylbutyl)ethanimidate
CID 135078715
[(E)-3-methyl-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-hexylethanimidate
CID 135078800
[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 135079010
[(E)-but-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 135079880
[(E)-4-methylpent-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 135079972
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-hexylethanimidate
CID 135079973
[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 139250970
[(E)-hept-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250973
[(E)-hex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250974
[(E)-7-phenylhept-4-en-3-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 139250978

Frequently Asked Questions

What is the IUPAC name of [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate?
The IUPAC name of [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate (CID 135078716) is [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate.
What is the SMILES notation for [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate?
The canonical SMILES for [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate is CC(C)[Si](OCC/N=C(/OC/C=C/CCc1ccccc1)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate?
The InChIKey is MKVSFPSUTUJQCJ-XKBWQVCYSA-N. The full InChI is InChI=1S/C24H38F3NO2Si/c1-19(2)31(20(3)4,21(5)6)30-18-16-28-23(24(25,26)27)29-17-12-8-11-15-22-13-9-7-10-14-22/h7-10,12-14,19-21H,11,15-18H2,1-6H3/b12-8+,28-23+.
What are the key properties of [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate?
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate has a molecular weight of 457.65 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]ethanimidate is sourced from PubChem (CID 135078716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).