cyclobutane-1,1,3,3-tetracarboxylic acid

C8H8O8 — CID 3519305

IUPACcyclobutane-1,1,3,3-tetracarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C8H8O8/c9-3(10)7(4(11)12)1-8(2-7,5(13)14)6(15)16/h1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyICDSPCREXLHCQV-UHFFFAOYSA-N
MW232.14 g/mol
LogP-0.91
Rot. Bonds4

About cyclobutane-1,1,3,3-tetracarboxylic acid

cyclobutane-1,1,3,3-tetracarboxylic acid (PubChem CID 3519305) has the molecular formula C8H8O8 and a molecular weight of 232.14 g/mol. Its IUPAC name is cyclobutane-1,1,3,3-tetracarboxylic acid.

Molecular Properties

Compound Namecyclobutane-1,1,3,3-tetracarboxylic acid
PubChem CID3519305
Molecular FormulaC8H8O8
Molecular Weight232.14 g/mol
Exact Mass232.02
IUPAC Namecyclobutane-1,1,3,3-tetracarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C8H8O8/c9-3(10)7(4(11)12)1-8(2-7,5(13)14)6(15)16/h1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyICDSPCREXLHCQV-UHFFFAOYSA-N
XLogP-0.91
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,1,3,3-tetracarboxylic acid?
The IUPAC name of cyclobutane-1,1,3,3-tetracarboxylic acid (CID 3519305) is cyclobutane-1,1,3,3-tetracarboxylic acid.
What is the SMILES notation for cyclobutane-1,1,3,3-tetracarboxylic acid?
The canonical SMILES for cyclobutane-1,1,3,3-tetracarboxylic acid is O=C(O)C1(C(=O)O)CC(C(=O)O)(C(=O)O)C1.
What is the InChIKey of cyclobutane-1,1,3,3-tetracarboxylic acid?
The InChIKey is ICDSPCREXLHCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O8/c9-3(10)7(4(11)12)1-8(2-7,5(13)14)6(15)16/h1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of cyclobutane-1,1,3,3-tetracarboxylic acid?
cyclobutane-1,1,3,3-tetracarboxylic acid has a molecular weight of 232.14 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,1,3,3-tetracarboxylic acid is sourced from PubChem (CID 3519305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).