1,1-dichlorocyclohexane;dihydrochloride

C6H12Cl4 — CID 175162377

IUPAC1,1-dichlorocyclohexane;dihydrochloride
SMILESCl.Cl.ClC1(Cl)CCCCC1
InChIInChI=1S/C6H10Cl2.2ClH/c7-6(8)4-2-1-3-5-6;;/h1-5H2;2*1H
InChIKeyDUGGAYGFNMKCDD-UHFFFAOYSA-N
MW225.97 g/mol
LogP3.97
Rot. Bonds

About 1,1-dichlorocyclohexane;dihydrochloride

1,1-dichlorocyclohexane;dihydrochloride (PubChem CID 175162377) has the molecular formula C6H12Cl4 and a molecular weight of 225.97 g/mol. Its IUPAC name is 1,1-dichlorocyclohexane;dihydrochloride.

Molecular Properties

Compound Name1,1-dichlorocyclohexane;dihydrochloride
PubChem CID175162377
Molecular FormulaC6H12Cl4
Molecular Weight225.97 g/mol
Exact Mass223.97
IUPAC Name1,1-dichlorocyclohexane;dihydrochloride
SMILESCl.Cl.ClC1(Cl)CCCCC1
InChIInChI=1S/C6H10Cl2.2ClH/c7-6(8)4-2-1-3-5-6;;/h1-5H2;2*1H
InChIKeyDUGGAYGFNMKCDD-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.97
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichlorocyclopentane;dihydrochloride
CID 146484844
1,1-dichlorocyclooctane
CID 13066177
1,1-dichlorocyclobutane;hydrofluoride
CID 174902728
1-chloro-1-methylcyclotridecane
CID 71082065
2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
CID 13412659
1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
CID 71370874
spiro[2.6]nonane;hydrochloride
CID 141316852
1-chloro-1-nitrosocyclododecane
CID 12551889
cyclopentane;trihydrochloride
CID 172769560
1-chloro-1-nitrosocyclopentadecane
CID 71360750
cyclobutane;tetrahydrochloride
CID 172772339
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorocyclohexane;dihydrochloride?
The IUPAC name of 1,1-dichlorocyclohexane;dihydrochloride (CID 175162377) is 1,1-dichlorocyclohexane;dihydrochloride.
What is the SMILES notation for 1,1-dichlorocyclohexane;dihydrochloride?
The canonical SMILES for 1,1-dichlorocyclohexane;dihydrochloride is Cl.Cl.ClC1(Cl)CCCCC1.
What is the InChIKey of 1,1-dichlorocyclohexane;dihydrochloride?
The InChIKey is DUGGAYGFNMKCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2.2ClH/c7-6(8)4-2-1-3-5-6;;/h1-5H2;2*1H.
What are the key properties of 1,1-dichlorocyclohexane;dihydrochloride?
1,1-dichlorocyclohexane;dihydrochloride has a molecular weight of 225.97 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorocyclohexane;dihydrochloride is sourced from PubChem (CID 175162377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).