cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid

C12H12O8 — CID 54208574

IUPACcycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CCC(C(=O)O)=C(C(=O)O)CC1
InChIInChI=1S/C12H12O8/c13-9(14)5-1-2-6(10(15)16)8(12(19)20)4-3-7(5)11(17)18/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyPUHJFPNHGYCXSV-UHFFFAOYSA-N
MW284.22 g/mol
LogP0.49
Rot. Bonds4

About cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid

cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid (PubChem CID 54208574) has the molecular formula C12H12O8 and a molecular weight of 284.22 g/mol. Its IUPAC name is cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid.

Molecular Properties

Compound Namecycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
PubChem CID54208574
Molecular FormulaC12H12O8
Molecular Weight284.22 g/mol
Exact Mass284.05
IUPAC Namecycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CCC(C(=O)O)=C(C(=O)O)CC1
InChIInChI=1S/C12H12O8/c13-9(14)5-1-2-6(10(15)16)8(12(19)20)4-3-7(5)11(17)18/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyPUHJFPNHGYCXSV-UHFFFAOYSA-N
XLogP0.49
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid?
The IUPAC name of cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid (CID 54208574) is cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid.
What is the SMILES notation for cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid?
The canonical SMILES for cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid is O=C(O)C1=C(C(=O)O)CCC(C(=O)O)=C(C(=O)O)CC1.
What is the InChIKey of cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid?
The InChIKey is PUHJFPNHGYCXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O8/c13-9(14)5-1-2-6(10(15)16)8(12(19)20)4-3-7(5)11(17)18/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid?
cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid is sourced from PubChem (CID 54208574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).