[(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate

C24H26Cl2O4 — CID 122517180

IUPAC[(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O/C(=C(/OC(=O)C(C)(C)C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl2O4/c1-23(2,3)21(27)29-19(15-7-11-17(25)12-8-15)20(30-22(28)24(4,5)6)16-9-13-18(26)14-10-16/h7-14H,1-6H3/b20-19+
InChIKeyKKBJCSWRHSTGSK-FMQUCBEESA-N
MW449.37 g/mol
LogP7.00
Rot. Bonds4

About [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate

[(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate (PubChem CID 122517180) has the molecular formula C24H26Cl2O4 and a molecular weight of 449.37 g/mol. Its IUPAC name is [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate
PubChem CID122517180
Molecular FormulaC24H26Cl2O4
Molecular Weight449.37 g/mol
Exact Mass448.12
IUPAC Name[(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O/C(=C(/OC(=O)C(C)(C)C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl2O4/c1-23(2,3)21(27)29-19(15-7-11-17(25)12-8-15)20(30-22(28)24(4,5)6)16-9-13-18(26)14-10-16/h7-14H,1-6H3/b20-19+
InChIKeyKKBJCSWRHSTGSK-FMQUCBEESA-N
XLogP7.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.37
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-chloro(13C)benzoic acid
CID 66995527
4-chlorobenzoic acid;fluoromethane
CID 174932068
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 2,2-dimethylpropanoate
CID 44551031
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
4-chlorobenzoic acid;molecular hydrogen
CID 175545154
[(3E)-2-(4-chloroanilino)penta-1,3-dien-3-yl] 2,2-dimethylpropanoate
CID 177489768
chloro 4-chlorobenzoate
CID 67325757
1-(4-chlorophenyl)-2,2,4-trimethylpentane-1,3-dione
CID 15903801
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
1-chloro-4-(2,2-dimethyl-1-sulfinylpropyl)benzene
CID 13050046
(4-chlorophenyl) 2,2-dimethylpropanoate;(4-hydroxyphenyl) acetate;methyl acetate
CID 157432623
(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate (CID 122517180) is [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O/C(=C(/OC(=O)C(C)(C)C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate?
The InChIKey is KKBJCSWRHSTGSK-FMQUCBEESA-N. The full InChI is InChI=1S/C24H26Cl2O4/c1-23(2,3)21(27)29-19(15-7-11-17(25)12-8-15)20(30-22(28)24(4,5)6)16-9-13-18(26)14-10-16/h7-14H,1-6H3/b20-19+.
What are the key properties of [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate?
[(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate has a molecular weight of 449.37 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-bis(4-chlorophenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 122517180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).