cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid

C12H8O8 — CID 171384264

IUPACcycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)=CC(C(=O)O)=C(C(=O)O)C=C1
InChIInChI=1S/C12H8O8/c13-9(14)5-1-2-7(11(17)18)8(12(19)20)4-6(3-5)10(15)16/h1-4H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyPTQYVADLJXNALC-UHFFFAOYSA-N
MW280.19 g/mol
LogP0.04
Rot. Bonds4

About cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid

cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid (PubChem CID 171384264) has the molecular formula C12H8O8 and a molecular weight of 280.19 g/mol. Its IUPAC name is cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid.

Molecular Properties

Compound Namecycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid
PubChem CID171384264
Molecular FormulaC12H8O8
Molecular Weight280.19 g/mol
Exact Mass280.02
IUPAC Namecycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)=CC(C(=O)O)=C(C(=O)O)C=C1
InChIInChI=1S/C12H8O8/c13-9(14)5-1-2-7(11(17)18)8(12(19)20)4-6(3-5)10(15)16/h1-4H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyPTQYVADLJXNALC-UHFFFAOYSA-N
XLogP0.04
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedioic acid
CID 52940250
Thujic acid
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3-Carboxymuconic acid, cis-
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(Z)-2-methylpent-2-enedioic acid
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2-Biphenylenecarboxylic acid
CID 853150
(all-E)-Crocetin
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(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(2E,4E,6E,8E,10E)-4,9-Dimethyl-2,4,6,8,10-dodecapentaenedioic acid
CID 6444309
Litseacubebic Acid
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Cyclohexa-1,5-diene-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid?
The IUPAC name of cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid (CID 171384264) is cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid.
What is the SMILES notation for cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid?
The canonical SMILES for cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid is O=C(O)C1=CC(C(=O)O)=CC(C(=O)O)=C(C(=O)O)C=C1.
What is the InChIKey of cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid?
The InChIKey is PTQYVADLJXNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O8/c13-9(14)5-1-2-7(11(17)18)8(12(19)20)4-6(3-5)10(15)16/h1-4H,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid?
cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid has a molecular weight of 280.19 g/mol, XLogP of 0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,3,5,7-tetraene-1,2,4,6-tetracarboxylic acid is sourced from PubChem (CID 171384264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).