7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene

C11H16BrCl — CID 88826192

IUPAC7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene
SMILESCC1=CCCCCC1(C)/C=C(/Cl)Br
InChIInChI=1S/C11H16BrCl/c1-9-6-4-3-5-7-11(9,2)8-10(12)13/h6,8H,3-5,7H2,1-2H3/b10-8+
InChIKeyVQEAIJXJLAKEST-CSKARUKUSA-N
MW263.61 g/mol
LogP4.99
Rot. Bonds1

About 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene

7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene (PubChem CID 88826192) has the molecular formula C11H16BrCl and a molecular weight of 263.61 g/mol. Its IUPAC name is 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene.

Molecular Properties

Compound Name7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene
PubChem CID88826192
Molecular FormulaC11H16BrCl
Molecular Weight263.61 g/mol
Exact Mass262.01
IUPAC Name7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene
SMILESCC1=CCCCCC1(C)/C=C(/Cl)Br
InChIInChI=1S/C11H16BrCl/c1-9-6-4-3-5-7-11(9,2)8-10(12)13/h6,8H,3-5,7H2,1-2H3/b10-8+
InChIKeyVQEAIJXJLAKEST-CSKARUKUSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 54.99
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 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene?
The IUPAC name of 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene (CID 88826192) is 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene.
What is the SMILES notation for 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene?
The canonical SMILES for 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene is CC1=CCCCCC1(C)/C=C(/Cl)Br.
What is the InChIKey of 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene?
The InChIKey is VQEAIJXJLAKEST-CSKARUKUSA-N. The full InChI is InChI=1S/C11H16BrCl/c1-9-6-4-3-5-7-11(9,2)8-10(12)13/h6,8H,3-5,7H2,1-2H3/b10-8+.
What are the key properties of 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene?
7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene has a molecular weight of 263.61 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene is sourced from PubChem (CID 88826192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).