benzene-1,2,4,5-tetracarboxylic acid;ethene

C12H10O8 — CID 69404870

IUPACbenzene-1,2,4,5-tetracarboxylic acid;ethene
SMILESC=C.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H6O8.C2H4/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-2H2
InChIKeyFEHDNSCIHGKNMD-UHFFFAOYSA-N
MW282.20 g/mol
LogP1.28
Rot. Bonds4

About benzene-1,2,4,5-tetracarboxylic acid;ethene

benzene-1,2,4,5-tetracarboxylic acid;ethene (PubChem CID 69404870) has the molecular formula C12H10O8 and a molecular weight of 282.20 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid;ethene.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid;ethene
PubChem CID69404870
Molecular FormulaC12H10O8
Molecular Weight282.20 g/mol
Exact Mass282.04
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid;ethene
SMILESC=C.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H6O8.C2H4/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-2H2
InChIKeyFEHDNSCIHGKNMD-UHFFFAOYSA-N
XLogP1.28
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
phenazine-2,3,7,8-tetracarboxylic acid
CID 22152551
CID 172784976
CID 172784976
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
sodium 2,4,5-tricarboxybenzoate
CID 100958061
bis(4,5-dicarboxyphthalate);zinc;tetrahydroxide
CID 5246120
formaldehyde;phthalic acid
CID 174659618
4-ethenylphthalic acid
CID 90982643
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
CID 175172345
CID 175172345

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;ethene?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;ethene (CID 69404870) is benzene-1,2,4,5-tetracarboxylic acid;ethene.
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid;ethene?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid;ethene is C=C.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid;ethene?
The InChIKey is FEHDNSCIHGKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.C2H4/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-2H2.
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid;ethene?
benzene-1,2,4,5-tetracarboxylic acid;ethene has a molecular weight of 282.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid;ethene is sourced from PubChem (CID 69404870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).