dichloromethane;3,5-dichloropentan-2-one

C6H10Cl4O — CID 174884835

IUPACdichloromethane;3,5-dichloropentan-2-one
SMILESCC(=O)C(Cl)CCCl.ClCCl
InChIInChI=1S/C5H8Cl2O.CH2Cl2/c1-4(8)5(7)2-3-6;2-1-3/h5H,2-3H2,1H3;1H2
InChIKeyWZZDNEAMFOGTOC-UHFFFAOYSA-N
MW239.96 g/mol
LogP3.23
Rot. Bonds3

About dichloromethane;3,5-dichloropentan-2-one

dichloromethane;3,5-dichloropentan-2-one (PubChem CID 174884835) has the molecular formula C6H10Cl4O and a molecular weight of 239.96 g/mol. Its IUPAC name is dichloromethane;3,5-dichloropentan-2-one.

Molecular Properties

Compound Namedichloromethane;3,5-dichloropentan-2-one
PubChem CID174884835
Molecular FormulaC6H10Cl4O
Molecular Weight239.96 g/mol
Exact Mass237.95
IUPAC Namedichloromethane;3,5-dichloropentan-2-one
SMILESCC(=O)C(Cl)CCCl.ClCCl
InChIInChI=1S/C5H8Cl2O.CH2Cl2/c1-4(8)5(7)2-3-6;2-1-3/h5H,2-3H2,1H3;1H2
InChIKeyWZZDNEAMFOGTOC-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;3,5-dichloropentan-2-one?
The IUPAC name of dichloromethane;3,5-dichloropentan-2-one (CID 174884835) is dichloromethane;3,5-dichloropentan-2-one.
What is the SMILES notation for dichloromethane;3,5-dichloropentan-2-one?
The canonical SMILES for dichloromethane;3,5-dichloropentan-2-one is CC(=O)C(Cl)CCCl.ClCCl.
What is the InChIKey of dichloromethane;3,5-dichloropentan-2-one?
The InChIKey is WZZDNEAMFOGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O.CH2Cl2/c1-4(8)5(7)2-3-6;2-1-3/h5H,2-3H2,1H3;1H2.
What are the key properties of dichloromethane;3,5-dichloropentan-2-one?
dichloromethane;3,5-dichloropentan-2-one has a molecular weight of 239.96 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;3,5-dichloropentan-2-one is sourced from PubChem (CID 174884835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).