2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid

C9H10Cl2O4 — CID 87222259

IUPAC2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)Cl)CC(C(=O)Cl)C1(C)C(=O)O
InChIInChI=1S/C9H10Cl2O4/c1-8(6(11)13)3-4(5(10)12)9(8,2)7(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeyIHHQMRRFULSMJM-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.63
Rot. Bonds3

About 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid

2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 87222259) has the molecular formula C9H10Cl2O4 and a molecular weight of 253.08 g/mol. Its IUPAC name is 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID87222259
Molecular FormulaC9H10Cl2O4
Molecular Weight253.08 g/mol
Exact Mass252.00
IUPAC Name2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)Cl)CC(C(=O)Cl)C1(C)C(=O)O
InChIInChI=1S/C9H10Cl2O4/c1-8(6(11)13)3-4(5(10)12)9(8,2)7(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeyIHHQMRRFULSMJM-UHFFFAOYSA-N
XLogP1.63
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid (CID 87222259) is 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid is CC1(C(=O)Cl)CC(C(=O)Cl)C1(C)C(=O)O.
What is the InChIKey of 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is IHHQMRRFULSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O4/c1-8(6(11)13)3-4(5(10)12)9(8,2)7(14)15/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid?
2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 253.08 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 87222259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).