1-bromo-6-methylcyclohexene

C7H11Br — CID 565360

IUPAC1-bromo-6-methylcyclohexene
SMILESCC1CCCC=C1Br
InChIInChI=1S/C7H11Br/c1-6-4-2-3-5-7(6)8/h5-6H,2-4H2,1H3
InChIKeyJNJOTSRJOBHFBW-UHFFFAOYSA-N
MW175.07 g/mol
LogP3.09
Rot. Bonds

About 1-bromo-6-methylcyclohexene

1-bromo-6-methylcyclohexene (PubChem CID 565360) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is 1-bromo-6-methylcyclohexene.

Molecular Properties

Compound Name1-bromo-6-methylcyclohexene
PubChem CID565360
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name1-bromo-6-methylcyclohexene
SMILESCC1CCCC=C1Br
InChIInChI=1S/C7H11Br/c1-6-4-2-3-5-7(6)8/h5-6H,2-4H2,1H3
InChIKeyJNJOTSRJOBHFBW-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methylcyclohexene?
The IUPAC name of 1-bromo-6-methylcyclohexene (CID 565360) is 1-bromo-6-methylcyclohexene.
What is the SMILES notation for 1-bromo-6-methylcyclohexene?
The canonical SMILES for 1-bromo-6-methylcyclohexene is CC1CCCC=C1Br.
What is the InChIKey of 1-bromo-6-methylcyclohexene?
The InChIKey is JNJOTSRJOBHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br/c1-6-4-2-3-5-7(6)8/h5-6H,2-4H2,1H3.
What are the key properties of 1-bromo-6-methylcyclohexene?
1-bromo-6-methylcyclohexene has a molecular weight of 175.07 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methylcyclohexene is sourced from PubChem (CID 565360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).