bis(ethenyl) 2-ethenylbut-2-enedioate

C10H10O4 — CID 123538046

IUPACbis(ethenyl) 2-ethenylbut-2-enedioate
SMILESC=COC(=O)C=C(C=C)C(=O)OC=C
InChIInChI=1S/C10H10O4/c1-4-8(10(12)14-6-3)7-9(11)13-5-2/h4-7H,1-3H2
InChIKeyZIWDCVYHROABBD-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.47
Rot. Bonds5

About bis(ethenyl) 2-ethenylbut-2-enedioate

bis(ethenyl) 2-ethenylbut-2-enedioate (PubChem CID 123538046) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is bis(ethenyl) 2-ethenylbut-2-enedioate.

Molecular Properties

Compound Namebis(ethenyl) 2-ethenylbut-2-enedioate
PubChem CID123538046
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namebis(ethenyl) 2-ethenylbut-2-enedioate
SMILESC=COC(=O)C=C(C=C)C(=O)OC=C
InChIInChI=1S/C10H10O4/c1-4-8(10(12)14-6-3)7-9(11)13-5-2/h4-7H,1-3H2
InChIKeyZIWDCVYHROABBD-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677
5-ethenoxycarbonylhepta-4,6-dienoic acid
CID 135381631
ethenyl prop-2-enoate;urea
CID 146453811
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
tris(ethenyl) (Z)-prop-1-ene-1,2,3-tricarboxylate
CID 139943329
ethenyl (2E)-penta-2,4-dienoate
CID 87528503
N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)
CID 160745155
(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid
CID 175246296
bis(ethenyl) carbonate;ethene
CID 87073622
acetic acid;dibutyl (Z)-2-ethenylbut-2-enedioate
CID 174802121
ethenyl 2-methyl-3-silylprop-2-enoate
CID 173461885
ethenyl 2-methylbuta-2,3-dienoate
CID 174869086

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) 2-ethenylbut-2-enedioate?
The IUPAC name of bis(ethenyl) 2-ethenylbut-2-enedioate (CID 123538046) is bis(ethenyl) 2-ethenylbut-2-enedioate.
What is the SMILES notation for bis(ethenyl) 2-ethenylbut-2-enedioate?
The canonical SMILES for bis(ethenyl) 2-ethenylbut-2-enedioate is C=COC(=O)C=C(C=C)C(=O)OC=C.
What is the InChIKey of bis(ethenyl) 2-ethenylbut-2-enedioate?
The InChIKey is ZIWDCVYHROABBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-4-8(10(12)14-6-3)7-9(11)13-5-2/h4-7H,1-3H2.
What are the key properties of bis(ethenyl) 2-ethenylbut-2-enedioate?
bis(ethenyl) 2-ethenylbut-2-enedioate has a molecular weight of 194.19 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) 2-ethenylbut-2-enedioate is sourced from PubChem (CID 123538046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).