2,2-dimethylpropanoyl chloride;tetrachloromethane

C6H9Cl5O — CID 174900107

IUPAC2,2-dimethylpropanoyl chloride;tetrachloromethane
SMILESCC(C)(C)C(=O)Cl.ClC(Cl)(Cl)Cl
InChIInChI=1S/C5H9ClO.CCl4/c1-5(2,3)4(6)7;2-1(3,4)5/h1-3H3;
InChIKeyISLUUTUQMSTOHN-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.35
Rot. Bonds

About 2,2-dimethylpropanoyl chloride;tetrachloromethane

2,2-dimethylpropanoyl chloride;tetrachloromethane (PubChem CID 174900107) has the molecular formula C6H9Cl5O and a molecular weight of 274.40 g/mol. Its IUPAC name is 2,2-dimethylpropanoyl chloride;tetrachloromethane.

Molecular Properties

Compound Name2,2-dimethylpropanoyl chloride;tetrachloromethane
PubChem CID174900107
Molecular FormulaC6H9Cl5O
Molecular Weight274.40 g/mol
Exact Mass271.91
IUPAC Name2,2-dimethylpropanoyl chloride;tetrachloromethane
SMILESCC(C)(C)C(=O)Cl.ClC(Cl)(Cl)Cl
InChIInChI=1S/C5H9ClO.CCl4/c1-5(2,3)4(6)7;2-1(3,4)5/h1-3H3;
InChIKeyISLUUTUQMSTOHN-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyl chloride;tetrachloromethane?
The IUPAC name of 2,2-dimethylpropanoyl chloride;tetrachloromethane (CID 174900107) is 2,2-dimethylpropanoyl chloride;tetrachloromethane.
What is the SMILES notation for 2,2-dimethylpropanoyl chloride;tetrachloromethane?
The canonical SMILES for 2,2-dimethylpropanoyl chloride;tetrachloromethane is CC(C)(C)C(=O)Cl.ClC(Cl)(Cl)Cl.
What is the InChIKey of 2,2-dimethylpropanoyl chloride;tetrachloromethane?
The InChIKey is ISLUUTUQMSTOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO.CCl4/c1-5(2,3)4(6)7;2-1(3,4)5/h1-3H3;.
What are the key properties of 2,2-dimethylpropanoyl chloride;tetrachloromethane?
2,2-dimethylpropanoyl chloride;tetrachloromethane has a molecular weight of 274.40 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyl chloride;tetrachloromethane is sourced from PubChem (CID 174900107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).