cyclohexane dibromide

C6H12Br2-2 — CID 21453615

IUPACcyclohexane dibromide
SMILESC1CCCCC1.[Br-].[Br-]
InChIInChI=1S/C6H12.2BrH/c1-2-4-6-5-3-1;;/h1-6H2;2*1H/p-2
InChIKeyXJAIANCVELDPOT-UHFFFAOYSA-L
MW243.97 g/mol
LogP-3.65
Rot. Bonds

About cyclohexane dibromide

cyclohexane dibromide (PubChem CID 21453615) has the molecular formula C6H12Br2-2 and a molecular weight of 243.97 g/mol. Its IUPAC name is cyclohexane dibromide.

Molecular Properties

Compound Namecyclohexane dibromide
PubChem CID21453615
Molecular FormulaC6H12Br2-2
Molecular Weight243.97 g/mol
Exact Mass241.93
IUPAC Namecyclohexane dibromide
SMILESC1CCCCC1.[Br-].[Br-]
InChIInChI=1S/C6H12.2BrH/c1-2-4-6-5-3-1;;/h1-6H2;2*1H/p-2
InChIKeyXJAIANCVELDPOT-UHFFFAOYSA-L
XLogP-3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexane dibromide?
The IUPAC name of cyclohexane dibromide (CID 21453615) is cyclohexane dibromide.
What is the SMILES notation for cyclohexane dibromide?
The canonical SMILES for cyclohexane dibromide is C1CCCCC1.[Br-].[Br-].
What is the InChIKey of cyclohexane dibromide?
The InChIKey is XJAIANCVELDPOT-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12.2BrH/c1-2-4-6-5-3-1;;/h1-6H2;2*1H/p-2.
What are the key properties of cyclohexane dibromide?
cyclohexane dibromide has a molecular weight of 243.97 g/mol, XLogP of -3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane dibromide is sourced from PubChem (CID 21453615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).