diiodo (Z)-but-2-enedioate

C4H2I2O4 — CID 159859279

IUPACdiiodo (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OI)OI
InChIInChI=1S/C4H2I2O4/c5-9-3(7)1-2-4(8)10-6/h1-2H/b2-1-
InChIKeyNQXSDJBLIWJVOB-UPHRSURJSA-N
MW367.86 g/mol
LogP1.33
Rot. Bonds2

About diiodo (Z)-but-2-enedioate

diiodo (Z)-but-2-enedioate (PubChem CID 159859279) has the molecular formula C4H2I2O4 and a molecular weight of 367.86 g/mol. Its IUPAC name is diiodo (Z)-but-2-enedioate.

Molecular Properties

Compound Namediiodo (Z)-but-2-enedioate
PubChem CID159859279
Molecular FormulaC4H2I2O4
Molecular Weight367.86 g/mol
Exact Mass367.80
IUPAC Namediiodo (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OI)OI
InChIInChI=1S/C4H2I2O4/c5-9-3(7)1-2-4(8)10-6/h1-2H/b2-1-
InChIKeyNQXSDJBLIWJVOB-UPHRSURJSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dihydroxyphosphanyl) (Z)-but-2-enedioate
CID 174215356
CID 160615105
CID 160615105
dimethyl (Z)-but-2-enediperoxoate
CID 118352709
bis(ditert-butylstannyl) (Z)-but-2-enedioate
CID 173007024
iodo acetate;hydrochloride
CID 22153279
sodium iodo carbonate
CID 174948580
4-[4-(3-carboxyprop-2-enoyloxy)-4-oxobutanoyl]oxy-4-oxobut-2-enoic acid
CID 123873468
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
disulfino (Z)-but-2-enedioate
CID 174905476
bis(chloromethyl) but-2-enedioate
CID 57287087
dipropan-2-yl (E)-4-oxopent-2-enedioate
CID 70676166

Frequently Asked Questions

What is the IUPAC name of diiodo (Z)-but-2-enedioate?
The IUPAC name of diiodo (Z)-but-2-enedioate (CID 159859279) is diiodo (Z)-but-2-enedioate.
What is the SMILES notation for diiodo (Z)-but-2-enedioate?
The canonical SMILES for diiodo (Z)-but-2-enedioate is O=C(/C=C\C(=O)OI)OI.
What is the InChIKey of diiodo (Z)-but-2-enedioate?
The InChIKey is NQXSDJBLIWJVOB-UPHRSURJSA-N. The full InChI is InChI=1S/C4H2I2O4/c5-9-3(7)1-2-4(8)10-6/h1-2H/b2-1-.
What are the key properties of diiodo (Z)-but-2-enedioate?
diiodo (Z)-but-2-enedioate has a molecular weight of 367.86 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo (Z)-but-2-enedioate is sourced from PubChem (CID 159859279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).