1,1-dichlorocyclohexane

C6H10Cl2 — CID 16425

IUPAC1,1-dichlorocyclohexane
SMILESClC1(Cl)CCCCC1
InChIInChI=1S/C6H10Cl2/c7-6(8)4-2-1-3-5-6/h1-5H2
InChIKeyLQRDJCBZCLUBRY-UHFFFAOYSA-N
MW153.05 g/mol
LogP3.12
Rot. Bonds

About 1,1-dichlorocyclohexane

1,1-dichlorocyclohexane (PubChem CID 16425) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1,1-dichlorocyclohexane.

Molecular Properties

Compound Name1,1-dichlorocyclohexane
PubChem CID16425
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1,1-dichlorocyclohexane
SMILESClC1(Cl)CCCCC1
InChIInChI=1S/C6H10Cl2/c7-6(8)4-2-1-3-5-6/h1-5H2
InChIKeyLQRDJCBZCLUBRY-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1-dichlorocyclohexane?
The IUPAC name of 1,1-dichlorocyclohexane (CID 16425) is 1,1-dichlorocyclohexane.
What is the SMILES notation for 1,1-dichlorocyclohexane?
The canonical SMILES for 1,1-dichlorocyclohexane is ClC1(Cl)CCCCC1.
What is the InChIKey of 1,1-dichlorocyclohexane?
The InChIKey is LQRDJCBZCLUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c7-6(8)4-2-1-3-5-6/h1-5H2.
What are the key properties of 1,1-dichlorocyclohexane?
1,1-dichlorocyclohexane has a molecular weight of 153.05 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorocyclohexane is sourced from PubChem (CID 16425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).