ethene;ethenoxyethene;2-methylidenebutanedioic acid

C13H20O5 — CID 173139326

IUPACethene;ethenoxyethene;2-methylidenebutanedioic acid
SMILESC=C.C=C.C=C(CC(=O)O)C(=O)O.C=COC=C
InChIInChI=1S/C5H6O4.C4H6O.2C2H4/c1-3(5(8)9)2-4(6)7;1-3-5-4-2;2*1-2/h1-2H2,(H,6,7)(H,8,9);3-4H,1-2H2;2*1-2H2
InChIKeyILIJGKOSIIYUFZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.00
Rot. Bonds5

About ethene;ethenoxyethene;2-methylidenebutanedioic acid

ethene;ethenoxyethene;2-methylidenebutanedioic acid (PubChem CID 173139326) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethene;ethenoxyethene;2-methylidenebutanedioic acid.

Molecular Properties

Compound Nameethene;ethenoxyethene;2-methylidenebutanedioic acid
PubChem CID173139326
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Nameethene;ethenoxyethene;2-methylidenebutanedioic acid
SMILESC=C.C=C.C=C(CC(=O)O)C(=O)O.C=COC=C
InChIInChI=1S/C5H6O4.C4H6O.2C2H4/c1-3(5(8)9)2-4(6)7;1-3-5-4-2;2*1-2/h1-2H2,(H,6,7)(H,8,9);3-4H,1-2H2;2*1-2H2
InChIKeyILIJGKOSIIYUFZ-UHFFFAOYSA-N
XLogP3.00
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
2-methylidenebutanedioic acid;zirconium
CID 158245785
methane;2-methylidenebutanedioic acid
CID 158038738
2-methylbuta-1,3-diene;2-methylidenebutanedioic acid
CID 162113299
potassium;sodium;hydride;2-methylidenebutanedioic acid
CID 174838643
azane;2-methylidenebutanedioic acid;methyl prop-2-enoate
CID 88746751
sodium;ethenyl sulfite;2-methylidenebutanedioic acid
CID 121346754
2-methylidenebutanedioic acid;prop-2-enyl prop-2-enoate
CID 87416560
1,1-dichloroethene;2-methylidenebutanedioic acid;methyl prop-2-enoate
CID 86751954
acetylene;2-methylidenebutanedioic acid;urea
CID 157377951
2-methylidenebutanedioic acid;trimethylazanium;chloride
CID 157060052
1,1-dichloroethene;2-methylidenebutanedioic acid;prop-2-enenitrile
CID 22662599

Frequently Asked Questions

What is the IUPAC name of ethene;ethenoxyethene;2-methylidenebutanedioic acid?
The IUPAC name of ethene;ethenoxyethene;2-methylidenebutanedioic acid (CID 173139326) is ethene;ethenoxyethene;2-methylidenebutanedioic acid.
What is the SMILES notation for ethene;ethenoxyethene;2-methylidenebutanedioic acid?
The canonical SMILES for ethene;ethenoxyethene;2-methylidenebutanedioic acid is C=C.C=C.C=C(CC(=O)O)C(=O)O.C=COC=C.
What is the InChIKey of ethene;ethenoxyethene;2-methylidenebutanedioic acid?
The InChIKey is ILIJGKOSIIYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.C4H6O.2C2H4/c1-3(5(8)9)2-4(6)7;1-3-5-4-2;2*1-2/h1-2H2,(H,6,7)(H,8,9);3-4H,1-2H2;2*1-2H2.
What are the key properties of ethene;ethenoxyethene;2-methylidenebutanedioic acid?
ethene;ethenoxyethene;2-methylidenebutanedioic acid has a molecular weight of 256.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenoxyethene;2-methylidenebutanedioic acid is sourced from PubChem (CID 173139326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).