(2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid

C24H37Cl3O4Si — CID 142687917

IUPAC(2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid
SMILESCCCCCCCCOc1ccc(/C=C(\CCCCCC[Si](Cl)(Cl)Cl)C(=O)O)cc1OC
InChIInChI=1S/C24H37Cl3O4Si/c1-3-4-5-6-8-11-16-31-22-15-14-20(19-23(22)30-2)18-21(24(28)29)13-10-7-9-12-17-32(25,26)27/h14-15,18-19H,3-13,16-17H2,1-2H3,(H,28,29)/b21-18+
InChIKeyCHNBMULBUGENBB-DYTRJAOYSA-N
MW524.00 g/mol
LogP8.51
Rot. Bonds18

About (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid

(2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid (PubChem CID 142687917) has the molecular formula C24H37Cl3O4Si and a molecular weight of 524.00 g/mol. Its IUPAC name is (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid.

Molecular Properties

Compound Name(2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid
PubChem CID142687917
Molecular FormulaC24H37Cl3O4Si
Molecular Weight524.00 g/mol
Exact Mass522.15
IUPAC Name(2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid
SMILESCCCCCCCCOc1ccc(/C=C(\CCCCCC[Si](Cl)(Cl)Cl)C(=O)O)cc1OC
InChIInChI=1S/C24H37Cl3O4Si/c1-3-4-5-6-8-11-16-31-22-15-14-20(19-23(22)30-2)18-21(24(28)29)13-10-7-9-12-17-32(25,26)27/h14-15,18-19H,3-13,16-17H2,1-2H3,(H,28,29)/b21-18+
InChIKeyCHNBMULBUGENBB-DYTRJAOYSA-N
XLogP8.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.00
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid
CID 142687780
2-[(4-hydroxy-3-methoxyphenyl)methylidene]dotriacontanoic acid
CID 123723408
(2E)-2-[(3-methoxy-4-pentanoyloxyphenyl)methylidene]pentanoic acid
CID 70408287
3-[3-ethoxy-4-(8-trichlorosilyloctoxy)phenyl]prop-2-enoic acid
CID 67577148
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid
CID 142687913
6-trichlorosilylhexyl (E)-3-[4-(3-hexoxy-4-methoxyphenyl)phenyl]prop-2-enoate
CID 140988117
tris((Z)-3-(4-decoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tetrakis((Z)-3-(3-methoxy-4-nonoxyphenyl)-2-methylprop-2-enenitrile)
CID 158488451
3-[4-(6-bromohexoxy)-3-methoxyphenyl]-2-methylprop-2-enoic acid
CID 175497353
2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4165571
(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938
7-trichlorosilylheptyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 140988185

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid?
The IUPAC name of (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid (CID 142687917) is (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid.
What is the SMILES notation for (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid?
The canonical SMILES for (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid is CCCCCCCCOc1ccc(/C=C(\CCCCCC[Si](Cl)(Cl)Cl)C(=O)O)cc1OC.
What is the InChIKey of (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid?
The InChIKey is CHNBMULBUGENBB-DYTRJAOYSA-N. The full InChI is InChI=1S/C24H37Cl3O4Si/c1-3-4-5-6-8-11-16-31-22-15-14-20(19-23(22)30-2)18-21(24(28)29)13-10-7-9-12-17-32(25,26)27/h14-15,18-19H,3-13,16-17H2,1-2H3,(H,28,29)/b21-18+.
What are the key properties of (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid?
(2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid has a molecular weight of 524.00 g/mol, XLogP of 8.51, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid is sourced from PubChem (CID 142687917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).