6-chlorooxyhexyl hypochlorite

C6H12Cl2O2 — CID 57114882

IUPAC6-chlorooxyhexyl hypochlorite
SMILESClOCCCCCCOCl
InChIInChI=1S/C6H12Cl2O2/c7-9-5-3-1-2-4-6-10-8/h1-6H2
InChIKeyOOTKNPALRFKEMR-UHFFFAOYSA-N
MW187.07 g/mol
LogP2.89
Rot. Bonds7

About 6-chlorooxyhexyl hypochlorite

6-chlorooxyhexyl hypochlorite (PubChem CID 57114882) has the molecular formula C6H12Cl2O2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 6-chlorooxyhexyl hypochlorite.

Molecular Properties

Compound Name6-chlorooxyhexyl hypochlorite
PubChem CID57114882
Molecular FormulaC6H12Cl2O2
Molecular Weight187.07 g/mol
Exact Mass186.02
IUPAC Name6-chlorooxyhexyl hypochlorite
SMILESClOCCCCCCOCl
InChIInChI=1S/C6H12Cl2O2/c7-9-5-3-1-2-4-6-10-8/h1-6H2
InChIKeyOOTKNPALRFKEMR-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorooxyhexyl hypochlorite?
The IUPAC name of 6-chlorooxyhexyl hypochlorite (CID 57114882) is 6-chlorooxyhexyl hypochlorite.
What is the SMILES notation for 6-chlorooxyhexyl hypochlorite?
The canonical SMILES for 6-chlorooxyhexyl hypochlorite is ClOCCCCCCOCl.
What is the InChIKey of 6-chlorooxyhexyl hypochlorite?
The InChIKey is OOTKNPALRFKEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2/c7-9-5-3-1-2-4-6-10-8/h1-6H2.
What are the key properties of 6-chlorooxyhexyl hypochlorite?
6-chlorooxyhexyl hypochlorite has a molecular weight of 187.07 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorooxyhexyl hypochlorite is sourced from PubChem (CID 57114882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).