(Z)-but-2-enedioic acid;bis(diphenylphosphane)

C28H26O4P2 — CID 172683592

IUPAC(Z)-but-2-enedioic acid;bis(diphenylphosphane)
SMILESO=C(O)/C=C\C(=O)O.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C4H4O4/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2-4(7)8/h2*1-10,13H;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyASSKGMBGXDSYOY-KSBRXOFISA-N
MW488.46 g/mol
LogP4.34
Rot. Bonds6

About (Z)-but-2-enedioic acid;bis(diphenylphosphane)

(Z)-but-2-enedioic acid;bis(diphenylphosphane) (PubChem CID 172683592) has the molecular formula C28H26O4P2 and a molecular weight of 488.46 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;bis(diphenylphosphane).

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;bis(diphenylphosphane)
PubChem CID172683592
Molecular FormulaC28H26O4P2
Molecular Weight488.46 g/mol
Exact Mass488.13
IUPAC Name(Z)-but-2-enedioic acid;bis(diphenylphosphane)
SMILESO=C(O)/C=C\C(=O)O.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C4H4O4/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2-4(7)8/h2*1-10,13H;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyASSKGMBGXDSYOY-KSBRXOFISA-N
XLogP4.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z)-but-2-enedioic acid;bis(diphenylphosphane) 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

diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid
CID 174619172
diphenylphosphane;iron(3+);methanone
CID 174711189
diphenylphosphane;phosphorous acid
CID 158763055
(Z)-but-2-enedioic acid;toluene;hydrochloride
CID 174592168
aniline;but-2-enedioic acid
CID 160758978
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967
bis(diphenylphosphane);ethanol
CID 175242741
diphenylphosphane;toluene;hydrochloride
CID 174856667
(Z)-but-2-enedioic acid;styrene
CID 67731875

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;bis(diphenylphosphane)?
The IUPAC name of (Z)-but-2-enedioic acid;bis(diphenylphosphane) (CID 172683592) is (Z)-but-2-enedioic acid;bis(diphenylphosphane).
What is the SMILES notation for (Z)-but-2-enedioic acid;bis(diphenylphosphane)?
The canonical SMILES for (Z)-but-2-enedioic acid;bis(diphenylphosphane) is O=C(O)/C=C\C(=O)O.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of (Z)-but-2-enedioic acid;bis(diphenylphosphane)?
The InChIKey is ASSKGMBGXDSYOY-KSBRXOFISA-N. The full InChI is InChI=1S/2C12H11P.C4H4O4/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2-4(7)8/h2*1-10,13H;1-2H,(H,5,6)(H,7,8)/b;;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;bis(diphenylphosphane)?
(Z)-but-2-enedioic acid;bis(diphenylphosphane) has a molecular weight of 488.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;bis(diphenylphosphane) is sourced from PubChem (CID 172683592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).