5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid

C11H14O6 — CID 87713919

IUPAC5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=COC(=O)CC=CC(=O)O
InChIInChI=1S/C7H8O4.C4H6O2/c1-2-11-7(10)5-3-4-6(8)9;1-3(2)4(5)6/h2-4H,1,5H2,(H,8,9);1H2,2H3,(H,5,6)
InChIKeySEYKWVLMFVTINS-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.35
Rot. Bonds5

About 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid

5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid (PubChem CID 87713919) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid
PubChem CID87713919
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=COC(=O)CC=CC(=O)O
InChIInChI=1S/C7H8O4.C4H6O2/c1-2-11-7(10)5-3-4-6(8)9;1-3(2)4(5)6/h2-4H,1,5H2,(H,8,9);1H2,2H3,(H,5,6)
InChIKeySEYKWVLMFVTINS-UHFFFAOYSA-N
XLogP1.35
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
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'}

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Related Compounds

(E)-6-ethenoxy-6-oxohex-2-enoic acid
CID 67924628
(2Z)-5-methylhexa-2,5-dienoic acid
CID 55299633
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate
CID 90822028
ethenyl 4-aminobut-3-enoate
CID 173333237
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
(Z)-but-2-enedioic acid;ethene;ethenyl acetate
CID 174897820
acetic acid;ethenyl octadecanoate
CID 87067593
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethenyl 3-oxopropanoate
CID 57245020
(Z)-but-2-enoic acid;2-methylprop-2-enoic acid
CID 87787293
ethenyl (E)-non-3-enoate
CID 101276190

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid (CID 87713919) is 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=COC(=O)CC=CC(=O)O.
What is the InChIKey of 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid?
The InChIKey is SEYKWVLMFVTINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4.C4H6O2/c1-2-11-7(10)5-3-4-6(8)9;1-3(2)4(5)6/h2-4H,1,5H2,(H,8,9);1H2,2H3,(H,5,6).
What are the key properties of 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid?
5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid has a molecular weight of 242.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-5-oxopent-2-enoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 87713919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).