4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane

C13H23Br — CID 79593349

IUPAC4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane
SMILESCC(=CCCBr)C1CCC(C)C(C)C1
InChIInChI=1S/C13H23Br/c1-10-6-7-13(9-12(10)3)11(2)5-4-8-14/h5,10,12-13H,4,6-9H2,1-3H3
InChIKeyITNPOILLOPMEPL-UHFFFAOYSA-N
MW259.23 g/mol
LogP4.79
Rot. Bonds3

About 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane

4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane (PubChem CID 79593349) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane
PubChem CID79593349
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane
SMILESCC(=CCCBr)C1CCC(C)C(C)C1
InChIInChI=1S/C13H23Br/c1-10-6-7-13(9-12(10)3)11(2)5-4-8-14/h5,10,12-13H,4,6-9H2,1-3H3
InChIKeyITNPOILLOPMEPL-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 54.79
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 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane?
The IUPAC name of 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane (CID 79593349) is 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane?
The canonical SMILES for 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane is CC(=CCCBr)C1CCC(C)C(C)C1.
What is the InChIKey of 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane?
The InChIKey is ITNPOILLOPMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-10-6-7-13(9-12(10)3)11(2)5-4-8-14/h5,10,12-13H,4,6-9H2,1-3H3.
What are the key properties of 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane?
4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane has a molecular weight of 259.23 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopent-2-en-2-yl)-1,2-dimethylcyclohexane is sourced from PubChem (CID 79593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).