2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride

C8H12Cl2O3 — CID 152591826

IUPAC2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride
SMILESCC(C)(OC(C)(C)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C8H12Cl2O3/c1-7(2,5(9)11)13-8(3,4)6(10)12/h1-4H3
InChIKeyYVQHIYALIPIXGS-UHFFFAOYSA-N
MW227.09 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride

2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride (PubChem CID 152591826) has the molecular formula C8H12Cl2O3 and a molecular weight of 227.09 g/mol. Its IUPAC name is 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride
PubChem CID152591826
Molecular FormulaC8H12Cl2O3
Molecular Weight227.09 g/mol
Exact Mass226.02
IUPAC Name2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride
SMILESCC(C)(OC(C)(C)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C8H12Cl2O3/c1-7(2,5(9)11)13-8(3,4)6(10)12/h1-4H3
InChIKeyYVQHIYALIPIXGS-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 52.09
H-Bond Donors ≤ 50
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-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride?
The IUPAC name of 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride (CID 152591826) is 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride?
The canonical SMILES for 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride is CC(C)(OC(C)(C)C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride?
The InChIKey is YVQHIYALIPIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2O3/c1-7(2,5(9)11)13-8(3,4)6(10)12/h1-4H3.
What are the key properties of 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride?
2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride has a molecular weight of 227.09 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride is sourced from PubChem (CID 152591826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).