cyclohexane;dichloromethylcyclohexane

C13H24Cl2 — CID 118430501

IUPACcyclohexane;dichloromethylcyclohexane
SMILESC1CCCCC1.ClC(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl2.C6H12/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2;1-6H2
InChIKeyPWXZKDMZBRISHY-UHFFFAOYSA-N
MW251.24 g/mol
LogP5.71
Rot. Bonds1

About cyclohexane;dichloromethylcyclohexane

cyclohexane;dichloromethylcyclohexane (PubChem CID 118430501) has the molecular formula C13H24Cl2 and a molecular weight of 251.24 g/mol. Its IUPAC name is cyclohexane;dichloromethylcyclohexane.

Molecular Properties

Compound Namecyclohexane;dichloromethylcyclohexane
PubChem CID118430501
Molecular FormulaC13H24Cl2
Molecular Weight251.24 g/mol
Exact Mass250.13
IUPAC Namecyclohexane;dichloromethylcyclohexane
SMILESC1CCCCC1.ClC(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl2.C6H12/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2;1-6H2
InChIKeyPWXZKDMZBRISHY-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.24
LogP ≤ 55.71
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

CID 174647360
CID 174647360
1-chloroethylcyclododecane
CID 66468842
[chloro(fluoro)methyl]cyclohexane
CID 134937924
difluoromethylcyclohexane
CID 11804807
difluoromethylcyclopentadecane
CID 101486578
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
1,5-dichloro-1,5-dicyclohexylpentan-3-one
CID 57145786
(2S)-2-chloro-2-cyclohexylacetonitrile
CID 94056855
1-chloro-1-cyclohexyl-N-methylmethanamine
CID 116962166
2-chloro-N-cyclohexyl-2-cyclopentylacetamide
CID 62224252
chloro(dicyclohexylmethyl)silane
CID 57375598

Frequently Asked Questions

What is the IUPAC name of cyclohexane;dichloromethylcyclohexane?
The IUPAC name of cyclohexane;dichloromethylcyclohexane (CID 118430501) is cyclohexane;dichloromethylcyclohexane.
What is the SMILES notation for cyclohexane;dichloromethylcyclohexane?
The canonical SMILES for cyclohexane;dichloromethylcyclohexane is C1CCCCC1.ClC(Cl)C1CCCCC1.
What is the InChIKey of cyclohexane;dichloromethylcyclohexane?
The InChIKey is PWXZKDMZBRISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2.C6H12/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2;1-6H2.
What are the key properties of cyclohexane;dichloromethylcyclohexane?
cyclohexane;dichloromethylcyclohexane has a molecular weight of 251.24 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;dichloromethylcyclohexane is sourced from PubChem (CID 118430501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).