1,1-dichloro-1-(1,1-dichloropropylperoxy)propane

C6H10Cl4O2 — CID 156787145

IUPAC1,1-dichloro-1-(1,1-dichloropropylperoxy)propane
SMILESCCC(Cl)(Cl)OOC(Cl)(Cl)CC
InChIInChI=1S/C6H10Cl4O2/c1-3-5(7,8)11-12-6(9,10)4-2/h3-4H2,1-2H3
InChIKeyKOYVQZYMPUQMPA-UHFFFAOYSA-N
MW255.96 g/mol
LogP4.02
Rot. Bonds5

About 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane

1,1-dichloro-1-(1,1-dichloropropylperoxy)propane (PubChem CID 156787145) has the molecular formula C6H10Cl4O2 and a molecular weight of 255.96 g/mol. Its IUPAC name is 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane.

Molecular Properties

Compound Name1,1-dichloro-1-(1,1-dichloropropylperoxy)propane
PubChem CID156787145
Molecular FormulaC6H10Cl4O2
Molecular Weight255.96 g/mol
Exact Mass253.94
IUPAC Name1,1-dichloro-1-(1,1-dichloropropylperoxy)propane
SMILESCCC(Cl)(Cl)OOC(Cl)(Cl)CC
InChIInChI=1S/C6H10Cl4O2/c1-3-5(7,8)11-12-6(9,10)4-2/h3-4H2,1-2H3
InChIKeyKOYVQZYMPUQMPA-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,1-dichloro-1-propoxypropane
CID 87434594
ethanol;tetrachloromethane
CID 23446399
1,1,1-trichloropropane;trihydrochloride
CID 175077591
dichloromethane;1,1,1-trichloropropane
CID 23328703
alumane;2,2-dichlorobutane
CID 173433113
methanol;1,1,1-trichloropropane
CID 160733692
2-chloro-2,4,4-trimethylhexane
CID 58017854
ethoxyethane;tetrachloromethane
CID 87294863
2-chloro-2-methylbutane;methanol
CID 88619841
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
1,1,1,2,2-pentachlorobutane
CID 14833469
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane?
The IUPAC name of 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane (CID 156787145) is 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane.
What is the SMILES notation for 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane?
The canonical SMILES for 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane is CCC(Cl)(Cl)OOC(Cl)(Cl)CC.
What is the InChIKey of 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane?
The InChIKey is KOYVQZYMPUQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl4O2/c1-3-5(7,8)11-12-6(9,10)4-2/h3-4H2,1-2H3.
What are the key properties of 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane?
1,1-dichloro-1-(1,1-dichloropropylperoxy)propane has a molecular weight of 255.96 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-(1,1-dichloropropylperoxy)propane is sourced from PubChem (CID 156787145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).