(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid

C6H10O4Si — CID 174869396

IUPAC(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid
SMILESC[SiH](C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H10O4Si/c1-11(2)10-6(9)4-3-5(7)8/h3-4,11H,1-2H3,(H,7,8)/b4-3-
InChIKeyWIIMTZRPDWLGLJ-ARJAWSKDSA-N
MW174.23 g/mol
LogP0.15
Rot. Bonds3

About (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid

(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid (PubChem CID 174869396) has the molecular formula C6H10O4Si and a molecular weight of 174.23 g/mol. Its IUPAC name is (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid
PubChem CID174869396
Molecular FormulaC6H10O4Si
Molecular Weight174.23 g/mol
Exact Mass174.03
IUPAC Name(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid
SMILESC[SiH](C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H10O4Si/c1-11(2)10-6(9)4-3-5(7)8/h3-4,11H,1-2H3,(H,7,8)/b4-3-
InChIKeyWIIMTZRPDWLGLJ-ARJAWSKDSA-N
XLogP0.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 87864745
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
[(E)-3-carboxyprop-2-enoyl]oxy-trimethylazanium
CID 174444479
CID 76552400
CID 76552400
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid (CID 174869396) is (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid is C[SiH](C)OC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid?
The InChIKey is WIIMTZRPDWLGLJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10O4Si/c1-11(2)10-6(9)4-3-5(7)8/h3-4,11H,1-2H3,(H,7,8)/b4-3-.
What are the key properties of (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid?
(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid has a molecular weight of 174.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 174869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).