(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid

C17H22Cl4O2Si — CID 142687913

IUPAC(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)cc1)CCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C17H22Cl4O2Si/c18-16-10-8-14(9-11-16)13-15(17(22)23)7-5-3-1-2-4-6-12-24(19,20)21/h8-11,13H,1-7,12H2,(H,22,23)/b15-13+
InChIKeyCKSRQFXDUCUCGE-FYWRMAATSA-N
MW428.26 g/mol
LogP7.19
Rot. Bonds11

About (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid

(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid (PubChem CID 142687913) has the molecular formula C17H22Cl4O2Si and a molecular weight of 428.26 g/mol. Its IUPAC name is (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid.

Molecular Properties

Compound Name(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid
PubChem CID142687913
Molecular FormulaC17H22Cl4O2Si
Molecular Weight428.26 g/mol
Exact Mass426.01
IUPAC Name(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid
SMILESO=C(O)/C(=C/c1ccc(Cl)cc1)CCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C17H22Cl4O2Si/c18-16-10-8-14(9-11-16)13-15(17(22)23)7-5-3-1-2-4-6-12-24(19,20)21/h8-11,13H,1-7,12H2,(H,22,23)/b15-13+
InChIKeyCKSRQFXDUCUCGE-FYWRMAATSA-N
XLogP7.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.26
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]pentanedioic acid
CID 82159773
2-[(4-chlorophenyl)methylidene]pentanoic acid
CID 3248442
(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687822
6-trichlorosilylhexanoic acid
CID 123653334
39-trichlorosilylnonatriacontanoic acid
CID 87685424
(2E)-2-benzylideneheptanoic acid
CID 14318164
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687772
3-(4-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoic acid
CID 66935047
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(4-chlorophenyl)methylidene]-4-oxobutanoic acid
CID 69054034
2-bromo-3-(4-chlorophenyl)prop-2-enoic acid
CID 4737526
(2E)-2-benzylidenehexanoic acid
CID 5354388

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid?
The IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid (CID 142687913) is (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid.
What is the SMILES notation for (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid?
The canonical SMILES for (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid is O=C(O)/C(=C/c1ccc(Cl)cc1)CCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid?
The InChIKey is CKSRQFXDUCUCGE-FYWRMAATSA-N. The full InChI is InChI=1S/C17H22Cl4O2Si/c18-16-10-8-14(9-11-16)13-15(17(22)23)7-5-3-1-2-4-6-12-24(19,20)21/h8-11,13H,1-7,12H2,(H,22,23)/b15-13+.
What are the key properties of (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid?
(2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid has a molecular weight of 428.26 g/mol, XLogP of 7.19, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-chlorophenyl)methylidene]-10-trichlorosilyldecanoic acid is sourced from PubChem (CID 142687913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).