[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate

C15H30Cl3NO2Si2 — CID 101134026

IUPAC[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/OC[C@H](/C=C\[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C15H30Cl3NO2Si2/c1-14(2,3)23(7,8)21-12(9-10-22(4,5)6)11-20-13(19)15(16,17)18/h9-10,12,19H,11H2,1-8H3/b10-9-,19-13+/t12-/m0/s1
InChIKeyQULJELNXUQKJLW-ULARVIDKSA-N
MW418.94 g/mol
LogP6.17
Rot. Bonds6

About [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate

[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate (PubChem CID 101134026) has the molecular formula C15H30Cl3NO2Si2 and a molecular weight of 418.94 g/mol. Its IUPAC name is [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate
PubChem CID101134026
Molecular FormulaC15H30Cl3NO2Si2
Molecular Weight418.94 g/mol
Exact Mass417.09
IUPAC Name[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/OC[C@H](/C=C\[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C15H30Cl3NO2Si2/c1-14(2,3)23(7,8)21-12(9-10-22(4,5)6)11-20-13(19)15(16,17)18/h9-10,12,19H,11H2,1-8H3/b10-9-,19-13+/t12-/m0/s1
InChIKeyQULJELNXUQKJLW-ULARVIDKSA-N
XLogP6.17
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate with MolForge

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Related Compounds

[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 134859214
[(Z)-5-methyl-4-(2,2,2-trichloroethanimidoyl)oxyhex-2-enyl] 2,2,2-trichloroethanimidate
CID 53260517
hept-1-en-3-yl 2,2,2-trichloroethanimidate
CID 102380856
[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]methyl 2,2,2-trichloroethanimidate
CID 101191823
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylstannylbut-3-en-1-ol
CID 59052911
11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
CID 173373978
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
[(2R,3R,4S,5R,6R)-4-acetyloxy-5-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
CID 10962965
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate?
The IUPAC name of [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate (CID 101134026) is [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate?
The canonical SMILES for [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate is [H]/N=C(/OC[C@H](/C=C\[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate?
The InChIKey is QULJELNXUQKJLW-ULARVIDKSA-N. The full InChI is InChI=1S/C15H30Cl3NO2Si2/c1-14(2,3)23(7,8)21-12(9-10-22(4,5)6)11-20-13(19)15(16,17)18/h9-10,12,19H,11H2,1-8H3/b10-9-,19-13+/t12-/m0/s1.
What are the key properties of [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate?
[(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate has a molecular weight of 418.94 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-enyl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 101134026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).