(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid

C20H22O4Si — CID 162310940

IUPAC(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
SMILESCC(C)(C)[Si](OC(=O)/C=C\C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O4Si/c1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-19(23)15-14-18(21)22/h4-15H,1-3H3,(H,21,22)/b15-14-
InChIKeyFOLFSXVEULXAIV-PFONDFGASA-N
MW354.48 g/mol
LogP2.73
Rot. Bonds5

About (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid

(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid (PubChem CID 162310940) has the molecular formula C20H22O4Si and a molecular weight of 354.48 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
PubChem CID162310940
Molecular FormulaC20H22O4Si
Molecular Weight354.48 g/mol
Exact Mass354.13
IUPAC Name(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
SMILESCC(C)(C)[Si](OC(=O)/C=C\C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O4Si/c1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-19(23)15-14-18(21)22/h4-15H,1-3H3,(H,21,22)/b15-14-
InChIKeyFOLFSXVEULXAIV-PFONDFGASA-N
XLogP2.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.73
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

[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 174721555
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-(1-methoxyethenoxy)-diphenylsilane
CID 10662951
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
[tert-butyl(diphenyl)silyl] pent-4-ynoate
CID 101226817
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate
CID 174976118
(Z)-but-2-enedioic acid;toluene;hydrochloride
CID 174592168
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid (CID 162310940) is (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid is CC(C)(C)[Si](OC(=O)/C=C\C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid?
The InChIKey is FOLFSXVEULXAIV-PFONDFGASA-N. The full InChI is InChI=1S/C20H22O4Si/c1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-19(23)15-14-18(21)22/h4-15H,1-3H3,(H,21,22)/b15-14-.
What are the key properties of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid?
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid has a molecular weight of 354.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 162310940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).