2-(3-chloropropyl)-2-methylpropanedioyl dichloride

C7H9Cl3O2 — CID 131888524

IUPAC2-(3-chloropropyl)-2-methylpropanedioyl dichloride
SMILESCC(CCCCl)(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C7H9Cl3O2/c1-7(5(9)11,6(10)12)3-2-4-8/h2-4H2,1H3
InChIKeyGZUAIYQZJLSQQD-UHFFFAOYSA-N
MW231.51 g/mol
LogP2.54
Rot. Bonds5

About 2-(3-chloropropyl)-2-methylpropanedioyl dichloride

2-(3-chloropropyl)-2-methylpropanedioyl dichloride (PubChem CID 131888524) has the molecular formula C7H9Cl3O2 and a molecular weight of 231.51 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2-methylpropanedioyl dichloride.

Molecular Properties

Compound Name2-(3-chloropropyl)-2-methylpropanedioyl dichloride
PubChem CID131888524
Molecular FormulaC7H9Cl3O2
Molecular Weight231.51 g/mol
Exact Mass229.97
IUPAC Name2-(3-chloropropyl)-2-methylpropanedioyl dichloride
SMILESCC(CCCCl)(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C7H9Cl3O2/c1-7(5(9)11,6(10)12)3-2-4-8/h2-4H2,1H3
InChIKeyGZUAIYQZJLSQQD-UHFFFAOYSA-N
XLogP2.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-2-methylpropanedioyl dichloride with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride
CID 56848166
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
1-chloro-4,4-dimethylpentane
CID 524245
2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate
CID 19745520
2-acetyl-5-chloro-2-methylpentanenitrile
CID 83262143
8-chloro-2,2-dimethyloctanoic acid
CID 88681870
4-bromo-1-chloro-4-methylpentane
CID 11344661
CID 140686763
CID 140686763
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319
acetyl chloride;1,2-dichloroethane
CID 159411616
2-chloro-2-propylpentanoyl chloride
CID 14643541

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-2-methylpropanedioyl dichloride?
The IUPAC name of 2-(3-chloropropyl)-2-methylpropanedioyl dichloride (CID 131888524) is 2-(3-chloropropyl)-2-methylpropanedioyl dichloride.
What is the SMILES notation for 2-(3-chloropropyl)-2-methylpropanedioyl dichloride?
The canonical SMILES for 2-(3-chloropropyl)-2-methylpropanedioyl dichloride is CC(CCCCl)(C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-(3-chloropropyl)-2-methylpropanedioyl dichloride?
The InChIKey is GZUAIYQZJLSQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3O2/c1-7(5(9)11,6(10)12)3-2-4-8/h2-4H2,1H3.
What are the key properties of 2-(3-chloropropyl)-2-methylpropanedioyl dichloride?
2-(3-chloropropyl)-2-methylpropanedioyl dichloride has a molecular weight of 231.51 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2-methylpropanedioyl dichloride is sourced from PubChem (CID 131888524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).