cyclobutane-1,1-dicarboxylic acid;ethoxyethane

C10H18O5 — CID 174756320

IUPACcyclobutane-1,1-dicarboxylic acid;ethoxyethane
SMILESCCOCC.O=C(O)C1(C(=O)O)CCC1
InChIInChI=1S/C6H8O4.C4H10O/c7-4(8)6(5(9)10)2-1-3-6;1-3-5-4-2/h1-3H2,(H,7,8)(H,9,10);3-4H2,1-2H3
InChIKeyKKHJSQAOXNMHIF-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.37
Rot. Bonds4

About cyclobutane-1,1-dicarboxylic acid;ethoxyethane

cyclobutane-1,1-dicarboxylic acid;ethoxyethane (PubChem CID 174756320) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is cyclobutane-1,1-dicarboxylic acid;ethoxyethane.

Molecular Properties

Compound Namecyclobutane-1,1-dicarboxylic acid;ethoxyethane
PubChem CID174756320
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namecyclobutane-1,1-dicarboxylic acid;ethoxyethane
SMILESCCOCC.O=C(O)C1(C(=O)O)CCC1
InChIInChI=1S/C6H8O4.C4H10O/c7-4(8)6(5(9)10)2-1-3-6;1-3-5-4-2/h1-3H2,(H,7,8)(H,9,10);3-4H2,1-2H3
InChIKeyKKHJSQAOXNMHIF-UHFFFAOYSA-N
XLogP1.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclobutane-1,1-dicarboxylic acid;ethoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,1-dicarboxylic acid;ethoxyethane?
The IUPAC name of cyclobutane-1,1-dicarboxylic acid;ethoxyethane (CID 174756320) is cyclobutane-1,1-dicarboxylic acid;ethoxyethane.
What is the SMILES notation for cyclobutane-1,1-dicarboxylic acid;ethoxyethane?
The canonical SMILES for cyclobutane-1,1-dicarboxylic acid;ethoxyethane is CCOCC.O=C(O)C1(C(=O)O)CCC1.
What is the InChIKey of cyclobutane-1,1-dicarboxylic acid;ethoxyethane?
The InChIKey is KKHJSQAOXNMHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.C4H10O/c7-4(8)6(5(9)10)2-1-3-6;1-3-5-4-2/h1-3H2,(H,7,8)(H,9,10);3-4H2,1-2H3.
What are the key properties of cyclobutane-1,1-dicarboxylic acid;ethoxyethane?
cyclobutane-1,1-dicarboxylic acid;ethoxyethane has a molecular weight of 218.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,1-dicarboxylic acid;ethoxyethane is sourced from PubChem (CID 174756320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).