2-methylpropanedioyl dichloride;dihydrochloride

C4H6Cl4O2 — CID 174742861

IUPAC2-methylpropanedioyl dichloride;dihydrochloride
SMILESCC(C(=O)Cl)C(=O)Cl.Cl.Cl
InChIInChI=1S/C4H4Cl2O2.2ClH/c1-2(3(5)7)4(6)8;;/h2H,1H3;2*1H
InChIKeyJHNXBZCTTMKHHX-UHFFFAOYSA-N
MW227.90 g/mol
LogP2.00
Rot. Bonds2

About 2-methylpropanedioyl dichloride;dihydrochloride

2-methylpropanedioyl dichloride;dihydrochloride (PubChem CID 174742861) has the molecular formula C4H6Cl4O2 and a molecular weight of 227.90 g/mol. Its IUPAC name is 2-methylpropanedioyl dichloride;dihydrochloride.

Molecular Properties

Compound Name2-methylpropanedioyl dichloride;dihydrochloride
PubChem CID174742861
Molecular FormulaC4H6Cl4O2
Molecular Weight227.90 g/mol
Exact Mass225.91
IUPAC Name2-methylpropanedioyl dichloride;dihydrochloride
SMILESCC(C(=O)Cl)C(=O)Cl.Cl.Cl
InChIInChI=1S/C4H4Cl2O2.2ClH/c1-2(3(5)7)4(6)8;;/h2H,1H3;2*1H
InChIKeyJHNXBZCTTMKHHX-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.90
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanedioyl dichloride;dihydrochloride?
The IUPAC name of 2-methylpropanedioyl dichloride;dihydrochloride (CID 174742861) is 2-methylpropanedioyl dichloride;dihydrochloride.
What is the SMILES notation for 2-methylpropanedioyl dichloride;dihydrochloride?
The canonical SMILES for 2-methylpropanedioyl dichloride;dihydrochloride is CC(C(=O)Cl)C(=O)Cl.Cl.Cl.
What is the InChIKey of 2-methylpropanedioyl dichloride;dihydrochloride?
The InChIKey is JHNXBZCTTMKHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2O2.2ClH/c1-2(3(5)7)4(6)8;;/h2H,1H3;2*1H.
What are the key properties of 2-methylpropanedioyl dichloride;dihydrochloride?
2-methylpropanedioyl dichloride;dihydrochloride has a molecular weight of 227.90 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanedioyl dichloride;dihydrochloride is sourced from PubChem (CID 174742861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).