(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid

C10H10O6 — CID 175246296

IUPAC(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid
SMILESC=COC(=O)/C(=C\C(=O)O)C(C=C)C(=O)O
InChIInChI=1S/C10H10O6/c1-3-6(9(13)14)7(5-8(11)12)10(15)16-4-2/h3-6H,1-2H2,(H,11,12)(H,13,14)/b7-5-
InChIKeyOKPOBTRYLQRYNT-ALCCZGGFSA-N
MW226.18 g/mol
LogP0.57
Rot. Bonds6

About (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid

(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid (PubChem CID 175246296) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid.

Molecular Properties

Compound Name(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid
PubChem CID175246296
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid
SMILESC=COC(=O)/C(=C\C(=O)O)C(C=C)C(=O)O
InChIInChI=1S/C10H10O6/c1-3-6(9(13)14)7(5-8(11)12)10(15)16-4-2/h3-6H,1-2H2,(H,11,12)(H,13,14)/b7-5-
InChIKeyOKPOBTRYLQRYNT-ALCCZGGFSA-N
XLogP0.57
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
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

(E)-5-dodecoxy-3-dodecoxycarbonyl-2-ethenyl-5-oxopent-3-enoic acid
CID 87977287
bis(ethenyl) 2-ethenylbut-2-enedioate
CID 123538046
ethenyl hydrogen carbonate;methane
CID 175034349
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111
bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677
2-benzhydryloxycarbonylbut-3-enoic acid
CID 174510218
2,2-dichloroacetic acid;ethenyl acetate
CID 159202527
(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
4-ethenoxy-2-hydroxy-4-oxobutanoic acid
CID 123885339
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
ethene;ethenyl acetate;2-hydroxypropanoic acid
CID 174695365
2-butoxycarbonylbut-3-enoic acid
CID 150960339

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid?
The IUPAC name of (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid (CID 175246296) is (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid.
What is the SMILES notation for (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid?
The canonical SMILES for (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid is C=COC(=O)/C(=C\C(=O)O)C(C=C)C(=O)O.
What is the InChIKey of (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid?
The InChIKey is OKPOBTRYLQRYNT-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10O6/c1-3-6(9(13)14)7(5-8(11)12)10(15)16-4-2/h3-6H,1-2H2,(H,11,12)(H,13,14)/b7-5-.
What are the key properties of (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid?
(Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid has a molecular weight of 226.18 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenoxycarbonyl-4-ethenylpent-2-enedioic acid is sourced from PubChem (CID 175246296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).