(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid

C13H24O4Si — CID 167577175

IUPAC(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
SMILESCC(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C13H24O4Si/c1-9(2)18(10(3)4,11(5)6)17-13(16)8-7-12(14)15/h7-11H,1-6H3,(H,14,15)/b8-7-
InChIKeyGRUQTQBXJPTVRS-FPLPWBNLSA-N
MW272.42 g/mol
LogP3.35
Rot. Bonds6

About (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid

(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid (PubChem CID 167577175) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
PubChem CID167577175
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
SMILESCC(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C13H24O4Si/c1-9(2)18(10(3)4,11(5)6)17-13(16)8-7-12(14)15/h7-11H,1-6H3,(H,14,15)/b8-7-
InChIKeyGRUQTQBXJPTVRS-FPLPWBNLSA-N
XLogP3.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.35
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

bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
CID 141231497
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
(E)-4-(4-methylhexan-2-yloxy)-4-oxobut-2-enoic acid
CID 150811634
(Z)-4-[2-methylhexan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
CID 141231502
(E)-4-(3-methylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88603317
4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid
CID 154353542
(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
CID 141231511
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88826298
1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] but-2-enedioate
CID 91372829

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid (CID 167577175) is (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid is CC(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid?
The InChIKey is GRUQTQBXJPTVRS-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-9(2)18(10(3)4,11(5)6)17-13(16)8-7-12(14)15/h7-11H,1-6H3,(H,14,15)/b8-7-.
What are the key properties of (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid?
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid has a molecular weight of 272.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid is sourced from PubChem (CID 167577175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).