(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid

C19H34O4Si — CID 141231511

IUPAC(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
SMILESCC(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)(C)C1CCCCC1
InChIInChI=1S/C19H34O4Si/c1-14(2)24(15(3)4,23-18(22)13-12-17(20)21)19(5,6)16-10-8-7-9-11-16/h12-16H,7-11H2,1-6H3,(H,20,21)/b13-12-
InChIKeyOJVSGHACZRDXLP-SEYXRHQNSA-N
MW354.56 g/mol
LogP5.30
Rot. Bonds7

About (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid

(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid (PubChem CID 141231511) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
PubChem CID141231511
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
SMILESCC(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)(C)C1CCCCC1
InChIInChI=1S/C19H34O4Si/c1-14(2)24(15(3)4,23-18(22)13-12-17(20)21)19(5,6)16-10-8-7-9-11-16/h12-16H,7-11H2,1-6H3,(H,20,21)/b13-12-
InChIKeyOJVSGHACZRDXLP-SEYXRHQNSA-N
XLogP5.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 55.30
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid (CID 141231511) is (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid is CC(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)(C)C1CCCCC1.
What is the InChIKey of (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
The InChIKey is OJVSGHACZRDXLP-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-14(2)24(15(3)4,23-18(22)13-12-17(20)21)19(5,6)16-10-8-7-9-11-16/h12-16H,7-11H2,1-6H3,(H,20,21)/b13-12-.
What are the key properties of (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid has a molecular weight of 354.56 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 141231511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).