2,4-dibromobutylcyclohexane

C10H18Br2 — CID 118255145

IUPAC2,4-dibromobutylcyclohexane
SMILESBrCCC(Br)CC1CCCCC1
InChIInChI=1S/C10H18Br2/c11-7-6-10(12)8-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyGRNSMAPCOXOLPJ-UHFFFAOYSA-N
MW298.06 g/mol
LogP4.51
Rot. Bonds4

About 2,4-dibromobutylcyclohexane

2,4-dibromobutylcyclohexane (PubChem CID 118255145) has the molecular formula C10H18Br2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 2,4-dibromobutylcyclohexane.

Molecular Properties

Compound Name2,4-dibromobutylcyclohexane
PubChem CID118255145
Molecular FormulaC10H18Br2
Molecular Weight298.06 g/mol
Exact Mass295.98
IUPAC Name2,4-dibromobutylcyclohexane
SMILESBrCCC(Br)CC1CCCCC1
InChIInChI=1S/C10H18Br2/c11-7-6-10(12)8-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyGRNSMAPCOXOLPJ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromobutylcyclohexane?
The IUPAC name of 2,4-dibromobutylcyclohexane (CID 118255145) is 2,4-dibromobutylcyclohexane.
What is the SMILES notation for 2,4-dibromobutylcyclohexane?
The canonical SMILES for 2,4-dibromobutylcyclohexane is BrCCC(Br)CC1CCCCC1.
What is the InChIKey of 2,4-dibromobutylcyclohexane?
The InChIKey is GRNSMAPCOXOLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2/c11-7-6-10(12)8-9-4-2-1-3-5-9/h9-10H,1-8H2.
What are the key properties of 2,4-dibromobutylcyclohexane?
2,4-dibromobutylcyclohexane has a molecular weight of 298.06 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromobutylcyclohexane is sourced from PubChem (CID 118255145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).