4,6-dichloro-1-propan-2-ylcyclohexene

C9H14Cl2 — CID 129040890

IUPAC4,6-dichloro-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCC(Cl)CC1Cl
InChIInChI=1S/C9H14Cl2/c1-6(2)8-4-3-7(10)5-9(8)11/h4,6-7,9H,3,5H2,1-2H3
InChIKeyIMAOBQIYFIZMRZ-UHFFFAOYSA-N
MW193.12 g/mol
LogP3.58
Rot. Bonds1

About 4,6-dichloro-1-propan-2-ylcyclohexene

4,6-dichloro-1-propan-2-ylcyclohexene (PubChem CID 129040890) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 4,6-dichloro-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name4,6-dichloro-1-propan-2-ylcyclohexene
PubChem CID129040890
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name4,6-dichloro-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCC(Cl)CC1Cl
InChIInChI=1S/C9H14Cl2/c1-6(2)8-4-3-7(10)5-9(8)11/h4,6-7,9H,3,5H2,1-2H3
InChIKeyIMAOBQIYFIZMRZ-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-propan-2-ylcyclohexene?
The IUPAC name of 4,6-dichloro-1-propan-2-ylcyclohexene (CID 129040890) is 4,6-dichloro-1-propan-2-ylcyclohexene.
What is the SMILES notation for 4,6-dichloro-1-propan-2-ylcyclohexene?
The canonical SMILES for 4,6-dichloro-1-propan-2-ylcyclohexene is CC(C)C1=CCC(Cl)CC1Cl.
What is the InChIKey of 4,6-dichloro-1-propan-2-ylcyclohexene?
The InChIKey is IMAOBQIYFIZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-6(2)8-4-3-7(10)5-9(8)11/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 4,6-dichloro-1-propan-2-ylcyclohexene?
4,6-dichloro-1-propan-2-ylcyclohexene has a molecular weight of 193.12 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-propan-2-ylcyclohexene is sourced from PubChem (CID 129040890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).