1-(bromomethyl)cyclohexene

C7H11Br — CID 3015932

IUPAC1-(bromomethyl)cyclohexene
SMILESBrCC1=CCCCC1
InChIInChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyPDKVWCYJNKLAGE-UHFFFAOYSA-N
MW175.07 g/mol
LogP2.88
Rot. Bonds1

About 1-(bromomethyl)cyclohexene

1-(bromomethyl)cyclohexene (PubChem CID 3015932) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is 1-(bromomethyl)cyclohexene.

Molecular Properties

Compound Name1-(bromomethyl)cyclohexene
PubChem CID3015932
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name1-(bromomethyl)cyclohexene
SMILESBrCC1=CCCCC1
InChIInChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyPDKVWCYJNKLAGE-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)cyclohexene?
The IUPAC name of 1-(bromomethyl)cyclohexene (CID 3015932) is 1-(bromomethyl)cyclohexene.
What is the SMILES notation for 1-(bromomethyl)cyclohexene?
The canonical SMILES for 1-(bromomethyl)cyclohexene is BrCC1=CCCCC1.
What is the InChIKey of 1-(bromomethyl)cyclohexene?
The InChIKey is PDKVWCYJNKLAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(bromomethyl)cyclohexene?
1-(bromomethyl)cyclohexene has a molecular weight of 175.07 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)cyclohexene is sourced from PubChem (CID 3015932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).