1-bromocyclohexene

C6H9Br — CID 519775

IUPAC1-bromocyclohexene
SMILESBrC1=CCCCC1
InChIInChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyQBUMXSSCYUMVAW-UHFFFAOYSA-N
MW161.04 g/mol
LogP2.84
Rot. Bonds

About 1-bromocyclohexene

1-bromocyclohexene (PubChem CID 519775) has the molecular formula C6H9Br and a molecular weight of 161.04 g/mol. Its IUPAC name is 1-bromocyclohexene.

Molecular Properties

Compound Name1-bromocyclohexene
PubChem CID519775
Molecular FormulaC6H9Br
Molecular Weight161.04 g/mol
Exact Mass159.99
IUPAC Name1-bromocyclohexene
SMILESBrC1=CCCCC1
InChIInChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyQBUMXSSCYUMVAW-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromocyclohexene?
The IUPAC name of 1-bromocyclohexene (CID 519775) is 1-bromocyclohexene.
What is the SMILES notation for 1-bromocyclohexene?
The canonical SMILES for 1-bromocyclohexene is BrC1=CCCCC1.
What is the InChIKey of 1-bromocyclohexene?
The InChIKey is QBUMXSSCYUMVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-bromocyclohexene?
1-bromocyclohexene has a molecular weight of 161.04 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromocyclohexene is sourced from PubChem (CID 519775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).