1,3-dichlorocyclohexene

C6H8Cl2 — CID 20523448

IUPAC1,3-dichlorocyclohexene
SMILESClC1=CC(Cl)CCC1
InChIInChI=1S/C6H8Cl2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3H2
InChIKeyXQROSXTWWDQLMZ-UHFFFAOYSA-N
MW151.04 g/mol
LogP2.90
Rot. Bonds

About 1,3-dichlorocyclohexene

1,3-dichlorocyclohexene (PubChem CID 20523448) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is 1,3-dichlorocyclohexene.

Molecular Properties

Compound Name1,3-dichlorocyclohexene
PubChem CID20523448
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name1,3-dichlorocyclohexene
SMILESClC1=CC(Cl)CCC1
InChIInChI=1S/C6H8Cl2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3H2
InChIKeyXQROSXTWWDQLMZ-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.90
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 1,3-dichlorocyclohexene?
The IUPAC name of 1,3-dichlorocyclohexene (CID 20523448) is 1,3-dichlorocyclohexene.
What is the SMILES notation for 1,3-dichlorocyclohexene?
The canonical SMILES for 1,3-dichlorocyclohexene is ClC1=CC(Cl)CCC1.
What is the InChIKey of 1,3-dichlorocyclohexene?
The InChIKey is XQROSXTWWDQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3H2.
What are the key properties of 1,3-dichlorocyclohexene?
1,3-dichlorocyclohexene has a molecular weight of 151.04 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorocyclohexene is sourced from PubChem (CID 20523448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).