1-bromoethenylcyclohexane

C8H13Br — CID 11805501

IUPAC1-bromoethenylcyclohexane
SMILESC=C(Br)C1CCCCC1
InChIInChI=1S/C8H13Br/c1-7(9)8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyRMBGQMIHGGYGCC-UHFFFAOYSA-N
MW189.10 g/mol
LogP3.48
Rot. Bonds1

About 1-bromoethenylcyclohexane

1-bromoethenylcyclohexane (PubChem CID 11805501) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is 1-bromoethenylcyclohexane.

Molecular Properties

Compound Name1-bromoethenylcyclohexane
PubChem CID11805501
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name1-bromoethenylcyclohexane
SMILESC=C(Br)C1CCCCC1
InChIInChI=1S/C8H13Br/c1-7(9)8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyRMBGQMIHGGYGCC-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromoethenylcyclohexane?
The IUPAC name of 1-bromoethenylcyclohexane (CID 11805501) is 1-bromoethenylcyclohexane.
What is the SMILES notation for 1-bromoethenylcyclohexane?
The canonical SMILES for 1-bromoethenylcyclohexane is C=C(Br)C1CCCCC1.
What is the InChIKey of 1-bromoethenylcyclohexane?
The InChIKey is RMBGQMIHGGYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c1-7(9)8-5-3-2-4-6-8/h8H,1-6H2.
What are the key properties of 1-bromoethenylcyclohexane?
1-bromoethenylcyclohexane has a molecular weight of 189.10 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethenylcyclohexane is sourced from PubChem (CID 11805501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).