(Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid

C13H24O7Si — CID 23043484

IUPAC(Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid
SMILESCCO[Si](CCC/C(=C/C(=O)O)C(=O)O)(OCC)OCC
InChIInChI=1S/C13H24O7Si/c1-4-18-21(19-5-2,20-6-3)9-7-8-11(13(16)17)10-12(14)15/h10H,4-9H2,1-3H3,(H,14,15)(H,16,17)/b11-10-
InChIKeySWYZZEPJSISERH-KHPPLWFESA-N
MW320.41 g/mol
LogP1.91
Rot. Bonds12

About (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid

(Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid (PubChem CID 23043484) has the molecular formula C13H24O7Si and a molecular weight of 320.41 g/mol. Its IUPAC name is (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid
PubChem CID23043484
Molecular FormulaC13H24O7Si
Molecular Weight320.41 g/mol
Exact Mass320.13
IUPAC Name(Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid
SMILESCCO[Si](CCC/C(=C/C(=O)O)C(=O)O)(OCC)OCC
InChIInChI=1S/C13H24O7Si/c1-4-18-21(19-5-2,20-6-3)9-7-8-11(13(16)17)10-12(14)15/h10H,4-9H2,1-3H3,(H,14,15)(H,16,17)/b11-10-
InChIKeySWYZZEPJSISERH-KHPPLWFESA-N
XLogP1.91
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2-(3-triethoxysilylpropyl)but-2-enedioic acid?
The IUPAC name of (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid (CID 23043484) is (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid is CCO[Si](CCC/C(=C/C(=O)O)C(=O)O)(OCC)OCC.
What is the InChIKey of (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid?
The InChIKey is SWYZZEPJSISERH-KHPPLWFESA-N. The full InChI is InChI=1S/C13H24O7Si/c1-4-18-21(19-5-2,20-6-3)9-7-8-11(13(16)17)10-12(14)15/h10H,4-9H2,1-3H3,(H,14,15)(H,16,17)/b11-10-.
What are the key properties of (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid?
(Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid has a molecular weight of 320.41 g/mol, XLogP of 1.91, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-triethoxysilylpropyl)but-2-enedioic acid is sourced from PubChem (CID 23043484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).