3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid

C16H33NO4Si2 — CID 174052416

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(=NO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C16H33NO4Si2/c1-12(20-22(8,9)15(2,3)4)13(14(18)19)17-21-23(10,11)16(5,6)7/h1H2,2-11H3,(H,18,19)
InChIKeyAORWTANYUGFYTO-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.98
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid (PubChem CID 174052416) has the molecular formula C16H33NO4Si2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid
PubChem CID174052416
Molecular FormulaC16H33NO4Si2
Molecular Weight359.62 g/mol
Exact Mass359.19
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid
SMILESC=C(O[Si](C)(C)C(C)(C)C)C(=NO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C16H33NO4Si2/c1-12(20-22(8,9)15(2,3)4)13(14(18)19)17-21-23(10,11)16(5,6)7/h1H2,2-11H3,(H,18,19)
InChIKeyAORWTANYUGFYTO-UHFFFAOYSA-N
XLogP4.98
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate
CID 134956025
(1Z)-N-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-2-oxoethanimidoyl chloride
CID 117061748
(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid
CID 173341397
[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
(E)-N-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-en-1-imine
CID 10856483
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid
CID 88615209
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
[tert-butyl(dimethyl)silyl] (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]methanimidate
CID 11823218
[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 150663036

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid (CID 174052416) is 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid is C=C(O[Si](C)(C)C(C)(C)C)C(=NO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid?
The InChIKey is AORWTANYUGFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4Si2/c1-12(20-22(8,9)15(2,3)4)13(14(18)19)17-21-23(10,11)16(5,6)7/h1H2,2-11H3,(H,18,19).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid has a molecular weight of 359.62 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid is sourced from PubChem (CID 174052416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).