6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene

C10H14BrCl — CID 88826043

IUPAC6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene
SMILESCC1=CCCCC1(C)/C=C(/Cl)Br
InChIInChI=1S/C10H14BrCl/c1-8-5-3-4-6-10(8,2)7-9(11)12/h5,7H,3-4,6H2,1-2H3/b9-7+
InChIKeyJGVYSHKGMXTOCR-VQHVLOKHSA-N
MW249.58 g/mol
LogP4.60
Rot. Bonds1

About 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene

6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene (PubChem CID 88826043) has the molecular formula C10H14BrCl and a molecular weight of 249.58 g/mol. Its IUPAC name is 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene.

Molecular Properties

Compound Name6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene
PubChem CID88826043
Molecular FormulaC10H14BrCl
Molecular Weight249.58 g/mol
Exact Mass248.00
IUPAC Name6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene
SMILESCC1=CCCCC1(C)/C=C(/Cl)Br
InChIInChI=1S/C10H14BrCl/c1-8-5-3-4-6-10(8,2)7-9(11)12/h5,7H,3-4,6H2,1-2H3/b9-7+
InChIKeyJGVYSHKGMXTOCR-VQHVLOKHSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene?
The IUPAC name of 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene (CID 88826043) is 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene.
What is the SMILES notation for 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene?
The canonical SMILES for 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene is CC1=CCCCC1(C)/C=C(/Cl)Br.
What is the InChIKey of 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene?
The InChIKey is JGVYSHKGMXTOCR-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H14BrCl/c1-8-5-3-4-6-10(8,2)7-9(11)12/h5,7H,3-4,6H2,1-2H3/b9-7+.
What are the key properties of 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene?
6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene has a molecular weight of 249.58 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene is sourced from PubChem (CID 88826043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).