bis(ethenyl) (Z)-but-2-enedioate;ethene

C10H12O4 — CID 174990906

IUPACbis(ethenyl) (Z)-but-2-enedioate;ethene
SMILESC=C.C=COC(=O)/C=C\C(=O)OC=C
InChIInChI=1S/C8H8O4.C2H4/c1-3-11-7(9)5-6-8(10)12-4-2;1-2/h3-6H,1-2H2;1-2H2/b6-5-;
InChIKeyHTQIRYCYUQLISA-YSMBQZINSA-N
MW196.20 g/mol
LogP1.72
Rot. Bonds4

About bis(ethenyl) (Z)-but-2-enedioate;ethene

bis(ethenyl) (Z)-but-2-enedioate;ethene (PubChem CID 174990906) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is bis(ethenyl) (Z)-but-2-enedioate;ethene.

Molecular Properties

Compound Namebis(ethenyl) (Z)-but-2-enedioate;ethene
PubChem CID174990906
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namebis(ethenyl) (Z)-but-2-enedioate;ethene
SMILESC=C.C=COC(=O)/C=C\C(=O)OC=C
InChIInChI=1S/C8H8O4.C2H4/c1-3-11-7(9)5-6-8(10)12-4-2;1-2/h3-6H,1-2H2;1-2H2/b6-5-;
InChIKeyHTQIRYCYUQLISA-YSMBQZINSA-N
XLogP1.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethenyl (2E)-penta-2,4-dienoate
CID 87528503
ethenyl 4-silylbut-2-enoate
CID 174902560
but-3-enoic acid;(Z)-4-ethenoxy-4-oxobut-2-enoic acid
CID 175246297
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl (E)-3-ethoxyprop-2-enoate
CID 142695290
ethenyl prop-2-enoate;urea
CID 146453811
chloroethene;ethenol;4-ethenoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 173332547
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl nonacos-2-enoate
CID 139682901
(Z)-but-2-enedioic acid;ethene;ethenyl acetate
CID 174897820
bis(ethenyl) 2-ethenylbut-2-enedioate
CID 123538046
bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) (Z)-but-2-enedioate;ethene?
The IUPAC name of bis(ethenyl) (Z)-but-2-enedioate;ethene (CID 174990906) is bis(ethenyl) (Z)-but-2-enedioate;ethene.
What is the SMILES notation for bis(ethenyl) (Z)-but-2-enedioate;ethene?
The canonical SMILES for bis(ethenyl) (Z)-but-2-enedioate;ethene is C=C.C=COC(=O)/C=C\C(=O)OC=C.
What is the InChIKey of bis(ethenyl) (Z)-but-2-enedioate;ethene?
The InChIKey is HTQIRYCYUQLISA-YSMBQZINSA-N. The full InChI is InChI=1S/C8H8O4.C2H4/c1-3-11-7(9)5-6-8(10)12-4-2;1-2/h3-6H,1-2H2;1-2H2/b6-5-;.
What are the key properties of bis(ethenyl) (Z)-but-2-enedioate;ethene?
bis(ethenyl) (Z)-but-2-enedioate;ethene has a molecular weight of 196.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) (Z)-but-2-enedioate;ethene is sourced from PubChem (CID 174990906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).