bis(1-phenylethenyl) (Z)-but-2-enedioate

C20H16O4 — CID 174301513

IUPACbis(1-phenylethenyl) (Z)-but-2-enedioate
SMILESC=C(OC(=O)/C=C\C(=O)OC(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O4/c1-15(17-9-5-3-6-10-17)23-19(21)13-14-20(22)24-16(2)18-11-7-4-8-12-18/h3-14H,1-2H2/b14-13-
InChIKeyWAWBLMWZCHCEBD-YPKPFQOOSA-N
MW320.34 g/mol
LogP3.97
Rot. Bonds6

About bis(1-phenylethenyl) (Z)-but-2-enedioate

bis(1-phenylethenyl) (Z)-but-2-enedioate (PubChem CID 174301513) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is bis(1-phenylethenyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(1-phenylethenyl) (Z)-but-2-enedioate
PubChem CID174301513
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namebis(1-phenylethenyl) (Z)-but-2-enedioate
SMILESC=C(OC(=O)/C=C\C(=O)OC(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O4/c1-15(17-9-5-3-6-10-17)23-19(21)13-14-20(22)24-16(2)18-11-7-4-8-12-18/h3-14H,1-2H2/b14-13-
InChIKeyWAWBLMWZCHCEBD-YPKPFQOOSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenylethenyl but-2-enoate
CID 68623165
bis(1-phenylethenyl) propanedioate
CID 89421618
1-phenylethenyl 2-chloroacetate
CID 13032777
ethyl 1-phenylethenyl carbonate
CID 10081285
1-but-1-en-2-yloxyethenylbenzene
CID 147866453
[(E)-but-2-enoyl] benzoate
CID 87397529
bis(2-methylprop-2-enoyl) (Z)-but-2-enedioate;styrene
CID 87485822
1-phosphorosooxyethenylbenzene
CID 57228195
[fluoro(phosphanyl)phosphanyl] (E)-4-oxo-4-phenylbut-2-enoate
CID 176764072
(2S)-2,3-bis(1-phenylethenoxy)butanedioic acid;ethane
CID 171625530
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
oxaldehydoyl benzoate
CID 54378501

Frequently Asked Questions

What is the IUPAC name of bis(1-phenylethenyl) (Z)-but-2-enedioate?
The IUPAC name of bis(1-phenylethenyl) (Z)-but-2-enedioate (CID 174301513) is bis(1-phenylethenyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(1-phenylethenyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(1-phenylethenyl) (Z)-but-2-enedioate is C=C(OC(=O)/C=C\C(=O)OC(=C)c1ccccc1)c1ccccc1.
What is the InChIKey of bis(1-phenylethenyl) (Z)-but-2-enedioate?
The InChIKey is WAWBLMWZCHCEBD-YPKPFQOOSA-N. The full InChI is InChI=1S/C20H16O4/c1-15(17-9-5-3-6-10-17)23-19(21)13-14-20(22)24-16(2)18-11-7-4-8-12-18/h3-14H,1-2H2/b14-13-.
What are the key properties of bis(1-phenylethenyl) (Z)-but-2-enedioate?
bis(1-phenylethenyl) (Z)-but-2-enedioate has a molecular weight of 320.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-phenylethenyl) (Z)-but-2-enedioate is sourced from PubChem (CID 174301513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).