(Z)-2,3-dichlorobut-2-enal

C4H4Cl2O — CID 142826176

IUPAC(Z)-2,3-dichlorobut-2-enal
SMILESC/C(Cl)=C(/Cl)C=O
InChIInChI=1S/C4H4Cl2O/c1-3(5)4(6)2-7/h2H,1H3/b4-3-
InChIKeyGERXVOIPDDYBCX-ARJAWSKDSA-N
MW138.98 g/mol
LogP1.89
Rot. Bonds1

About (Z)-2,3-dichlorobut-2-enal

(Z)-2,3-dichlorobut-2-enal (PubChem CID 142826176) has the molecular formula C4H4Cl2O and a molecular weight of 138.98 g/mol. Its IUPAC name is (Z)-2,3-dichlorobut-2-enal.

Molecular Properties

Compound Name(Z)-2,3-dichlorobut-2-enal
PubChem CID142826176
Molecular FormulaC4H4Cl2O
Molecular Weight138.98 g/mol
Exact Mass137.96
IUPAC Name(Z)-2,3-dichlorobut-2-enal
SMILESC/C(Cl)=C(/Cl)C=O
InChIInChI=1S/C4H4Cl2O/c1-3(5)4(6)2-7/h2H,1H3/b4-3-
InChIKeyGERXVOIPDDYBCX-ARJAWSKDSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.98
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-dichlorobut-2-enedial
CID 19698754
3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene
CID 88950589
(2E)-2-(1-chloroethylidene)-4,4-dimethylpentanal
CID 131408574
2-methyl(113C)prop-2-enal
CID 71749931
potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate
CID 86695681
molecular iodine;2-oxopropanal
CID 158647886
oxaldehyde;2-oxopropanal
CID 22114514
carbonyl dichloride;propan-2-one
CID 161102507
acetyl chloride;methane
CID 161264261
(E)-3-methyl-4-oxobut-2-enimidoyl chloride
CID 138622786

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dichlorobut-2-enal?
The IUPAC name of (Z)-2,3-dichlorobut-2-enal (CID 142826176) is (Z)-2,3-dichlorobut-2-enal.
What is the SMILES notation for (Z)-2,3-dichlorobut-2-enal?
The canonical SMILES for (Z)-2,3-dichlorobut-2-enal is C/C(Cl)=C(/Cl)C=O.
What is the InChIKey of (Z)-2,3-dichlorobut-2-enal?
The InChIKey is GERXVOIPDDYBCX-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H4Cl2O/c1-3(5)4(6)2-7/h2H,1H3/b4-3-.
What are the key properties of (Z)-2,3-dichlorobut-2-enal?
(Z)-2,3-dichlorobut-2-enal has a molecular weight of 138.98 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichlorobut-2-enal is sourced from PubChem (CID 142826176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).