diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate

C22H24O4 — CID 101392631

IUPACdiethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate
SMILESCCOC(=O)CC(C(=O)OCC)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24O4/c1-3-25-21(23)16-20(22(24)26-4-2)19(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-15,20H,3-4,16H2,1-2H3/b19-15+
InChIKeyHGCWHQOWPLCPRE-XDJHFCHBSA-N
MW352.43 g/mol
LogP4.36
Rot. Bonds8

About diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate

diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate (PubChem CID 101392631) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate
PubChem CID101392631
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Namediethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate
SMILESCCOC(=O)CC(C(=O)OCC)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24O4/c1-3-25-21(23)16-20(22(24)26-4-2)19(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-15,20H,3-4,16H2,1-2H3/b19-15+
InChIKeyHGCWHQOWPLCPRE-XDJHFCHBSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

triethyl (E)-4-phenylbut-3-ene-1,1,3-tricarboxylate
CID 12021311
(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid
CID 92526668
diethyl 2-acetyl-4-benzylidenepentanedioate
CID 71411268
1-O,1-O-dibenzyl 2-O-ethyl ethane-1,1,2-tricarboxylate
CID 130210104
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
ethyl 2-benzoyl-4-oxopentanoate
CID 14689358
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
diethyl 2-[[(E)-4-phenylbut-3-enyl]carbamoyl]butanedioate
CID 14547771
ethyl (E,4Z)-4-benzylidene-5-methyl-3,6-diphenylhex-5-enoate
CID 102491243
ethyl (E)-2-benzoyl-3-phenylprop-2-enoate
CID 5378099
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate?
The IUPAC name of diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate (CID 101392631) is diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate.
What is the SMILES notation for diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate?
The canonical SMILES for diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate is CCOC(=O)CC(C(=O)OCC)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate?
The InChIKey is HGCWHQOWPLCPRE-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H24O4/c1-3-25-21(23)16-20(22(24)26-4-2)19(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-15,20H,3-4,16H2,1-2H3/b19-15+.
What are the key properties of diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate?
diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate has a molecular weight of 352.43 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate is sourced from PubChem (CID 101392631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).