1-bromo-3-methylcyclohexene

C7H11Br — CID 134887508

IUPAC1-bromo-3-methylcyclohexene
SMILESCC1C=C(Br)CCC1
InChIInChI=1S/C7H11Br/c1-6-3-2-4-7(8)5-6/h5-6H,2-4H2,1H3
InChIKeyXEBVXOOYBYUQKJ-UHFFFAOYSA-N
MW175.07 g/mol
LogP3.09
Rot. Bonds

About 1-bromo-3-methylcyclohexene

1-bromo-3-methylcyclohexene (PubChem CID 134887508) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is 1-bromo-3-methylcyclohexene.

Molecular Properties

Compound Name1-bromo-3-methylcyclohexene
PubChem CID134887508
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name1-bromo-3-methylcyclohexene
SMILESCC1C=C(Br)CCC1
InChIInChI=1S/C7H11Br/c1-6-3-2-4-7(8)5-6/h5-6H,2-4H2,1H3
InChIKeyXEBVXOOYBYUQKJ-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-3-methylcyclohexene?
The IUPAC name of 1-bromo-3-methylcyclohexene (CID 134887508) is 1-bromo-3-methylcyclohexene.
What is the SMILES notation for 1-bromo-3-methylcyclohexene?
The canonical SMILES for 1-bromo-3-methylcyclohexene is CC1C=C(Br)CCC1.
What is the InChIKey of 1-bromo-3-methylcyclohexene?
The InChIKey is XEBVXOOYBYUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br/c1-6-3-2-4-7(8)5-6/h5-6H,2-4H2,1H3.
What are the key properties of 1-bromo-3-methylcyclohexene?
1-bromo-3-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-3-methylcyclohexene is sourced from PubChem (CID 134887508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).