acetic acid;(Z)-but-2-enedioic acid;chloroethene

C8H11ClO6 — CID 174808620

IUPACacetic acid;(Z)-but-2-enedioic acid;chloroethene
SMILESC=CCl.CC(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C2H3Cl.C2H4O2/c5-3(6)1-2-4(7)8;1-2-3;1-2(3)4/h1-2H,(H,5,6)(H,7,8);2H,1H2;1H3,(H,3,4)/b2-1-;;
InChIKeyMOOWGTBDSGXGJW-UAIGNFCESA-N
MW238.62 g/mol
LogP1.17
Rot. Bonds2

About acetic acid;(Z)-but-2-enedioic acid;chloroethene

acetic acid;(Z)-but-2-enedioic acid;chloroethene (PubChem CID 174808620) has the molecular formula C8H11ClO6 and a molecular weight of 238.62 g/mol. Its IUPAC name is acetic acid;(Z)-but-2-enedioic acid;chloroethene.

Molecular Properties

Compound Nameacetic acid;(Z)-but-2-enedioic acid;chloroethene
PubChem CID174808620
Molecular FormulaC8H11ClO6
Molecular Weight238.62 g/mol
Exact Mass238.02
IUPAC Nameacetic acid;(Z)-but-2-enedioic acid;chloroethene
SMILESC=CCl.CC(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C2H3Cl.C2H4O2/c5-3(6)1-2-4(7)8;1-2-3;1-2(3)4/h1-2H,(H,5,6)(H,7,8);2H,1H2;1H3,(H,3,4)/b2-1-;;
InChIKeyMOOWGTBDSGXGJW-UAIGNFCESA-N
XLogP1.17
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;chloroethene;ethene
CID 88762301
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121
(Z)-but-2-enedioic acid;2-methylbuta-1,3-diene;2-methylprop-1-ene
CID 135378820
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
(E)-but-2-enedioic acid;molecular chlorine
CID 170566018
calcium;(Z)-but-2-enedioic acid;hydride;prop-1-ene
CID 174748492
chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 173332547
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
CID 158960981
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-but-2-enedioic acid;chloroethene?
The IUPAC name of acetic acid;(Z)-but-2-enedioic acid;chloroethene (CID 174808620) is acetic acid;(Z)-but-2-enedioic acid;chloroethene.
What is the SMILES notation for acetic acid;(Z)-but-2-enedioic acid;chloroethene?
The canonical SMILES for acetic acid;(Z)-but-2-enedioic acid;chloroethene is C=CCl.CC(=O)O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of acetic acid;(Z)-but-2-enedioic acid;chloroethene?
The InChIKey is MOOWGTBDSGXGJW-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.C2H3Cl.C2H4O2/c5-3(6)1-2-4(7)8;1-2-3;1-2(3)4/h1-2H,(H,5,6)(H,7,8);2H,1H2;1H3,(H,3,4)/b2-1-;;.
What are the key properties of acetic acid;(Z)-but-2-enedioic acid;chloroethene?
acetic acid;(Z)-but-2-enedioic acid;chloroethene has a molecular weight of 238.62 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-but-2-enedioic acid;chloroethene is sourced from PubChem (CID 174808620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).