(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid

C32H56O7Si — CID 142687780

IUPAC(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid
SMILESCCCCCCCCCCOc1cc(/C=C(\CCCCCC[Si](OCC)(OCC)OCC)C(=O)O)ccc1OC
InChIInChI=1S/C32H56O7Si/c1-6-10-11-12-13-14-16-19-24-36-31-27-28(22-23-30(31)35-5)26-29(32(33)34)21-18-15-17-20-25-40(37-7-2,38-8-3)39-9-4/h22-23,26-27H,6-21,24-25H2,1-5H3,(H,33,34)/b29-26+
InChIKeyVUZZNGWMJSAYRH-PBBVDAKRSA-N
MW580.88 g/mol
LogP8.68
Rot. Bonds26

About (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid

(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid (PubChem CID 142687780) has the molecular formula C32H56O7Si and a molecular weight of 580.88 g/mol. Its IUPAC name is (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid.

Molecular Properties

Compound Name(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid
PubChem CID142687780
Molecular FormulaC32H56O7Si
Molecular Weight580.88 g/mol
Exact Mass580.38
IUPAC Name(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid
SMILESCCCCCCCCCCOc1cc(/C=C(\CCCCCC[Si](OCC)(OCC)OCC)C(=O)O)ccc1OC
InChIInChI=1S/C32H56O7Si/c1-6-10-11-12-13-14-16-19-24-36-31-27-28(22-23-30(31)35-5)26-29(32(33)34)21-18-15-17-20-25-40(37-7-2,38-8-3)39-9-4/h22-23,26-27H,6-21,24-25H2,1-5H3,(H,33,34)/b29-26+
InChIKeyVUZZNGWMJSAYRH-PBBVDAKRSA-N
XLogP8.68
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.88
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic 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-methoxy-4-octoxyphenyl)methylidene]-8-trichlorosilyloctanoic acid
CID 142687917
(2E)-2-[[4-(3,4-dimethoxybenzoyl)oxyphenyl]methylidene]-8-triethoxysilyloctanoic acid
CID 142687771
(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687822
(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687772
2-[(4-hydroxy-3-methoxyphenyl)methylidene]dotriacontanoic acid
CID 123723408
6-triethoxysilylhexyl (E)-3-[4-(4-methoxy-3-octoxyphenyl)phenyl]prop-2-enoate
CID 140988143
3-[4-butoxy-3-(6-triethoxysilylhexanoyloxy)phenyl]prop-2-enoic acid
CID 67576318
triethoxy-[18-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyoctadecyl]silane
CID 87448204
methyl 3-[4-ethoxy-3-(4-triethoxysilylbutoxy)phenyl]prop-2-enoate
CID 54025550
6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(3-methoxy-4-octoxyphenyl)prop-2-enoate
CID 140988134
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid?
The IUPAC name of (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid (CID 142687780) is (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid.
What is the SMILES notation for (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid?
The canonical SMILES for (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid is CCCCCCCCCCOc1cc(/C=C(\CCCCCC[Si](OCC)(OCC)OCC)C(=O)O)ccc1OC.
What is the InChIKey of (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid?
The InChIKey is VUZZNGWMJSAYRH-PBBVDAKRSA-N. The full InChI is InChI=1S/C32H56O7Si/c1-6-10-11-12-13-14-16-19-24-36-31-27-28(22-23-30(31)35-5)26-29(32(33)34)21-18-15-17-20-25-40(37-7-2,38-8-3)39-9-4/h22-23,26-27H,6-21,24-25H2,1-5H3,(H,33,34)/b29-26+.
What are the key properties of (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid?
(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid has a molecular weight of 580.88 g/mol, XLogP of 8.68, 26 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid is sourced from PubChem (CID 142687780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).