(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid

C24H40O6Si — CID 142687822

IUPAC(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
SMILESCCO[Si](CCCCCCCC/C(=C\c1ccc(OC)cc1)C(=O)O)(OCC)OCC
InChIInChI=1S/C24H40O6Si/c1-5-28-31(29-6-2,30-7-3)19-13-11-9-8-10-12-14-22(24(25)26)20-21-15-17-23(27-4)18-16-21/h15-18,20H,5-14,19H2,1-4H3,(H,25,26)/b22-20+
InChIKeyZHUSEEMCSHEPBS-LSDHQDQOSA-N
MW452.66 g/mol
LogP5.94
Rot. Bonds18

About (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid

(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid (PubChem CID 142687822) has the molecular formula C24H40O6Si and a molecular weight of 452.66 g/mol. Its IUPAC name is (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid.

Molecular Properties

Compound Name(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
PubChem CID142687822
Molecular FormulaC24H40O6Si
Molecular Weight452.66 g/mol
Exact Mass452.26
IUPAC Name(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
SMILESCCO[Si](CCCCCCCC/C(=C\c1ccc(OC)cc1)C(=O)O)(OCC)OCC
InChIInChI=1S/C24H40O6Si/c1-5-28-31(29-6-2,30-7-3)19-13-11-9-8-10-12-14-22(24(25)26)20-21-15-17-23(27-4)18-16-21/h15-18,20H,5-14,19H2,1-4H3,(H,25,26)/b22-20+
InChIKeyZHUSEEMCSHEPBS-LSDHQDQOSA-N
XLogP5.94
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687772
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
(2E)-2-[[4-(3,4-dimethoxybenzoyl)oxyphenyl]methylidene]-8-triethoxysilyloctanoic acid
CID 142687771
(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid
CID 142687780
2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid
CID 67747447
1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 67729195
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
18-triethoxysilyloctadecanoic acid
CID 87685990
(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid
CID 142687913
(E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 102323559
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
2-[(4-hydroxy-3-methoxyphenyl)methylidene]dotriacontanoic acid
CID 123723408

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
The IUPAC name of (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid (CID 142687822) is (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid.
What is the SMILES notation for (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
The canonical SMILES for (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid is CCO[Si](CCCCCCCC/C(=C\c1ccc(OC)cc1)C(=O)O)(OCC)OCC.
What is the InChIKey of (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
The InChIKey is ZHUSEEMCSHEPBS-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H40O6Si/c1-5-28-31(29-6-2,30-7-3)19-13-11-9-8-10-12-14-22(24(25)26)20-21-15-17-23(27-4)18-16-21/h15-18,20H,5-14,19H2,1-4H3,(H,25,26)/b22-20+.
What are the key properties of (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid has a molecular weight of 452.66 g/mol, XLogP of 5.94, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid is sourced from PubChem (CID 142687822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).