1,2-dibromocyclododecane

C12H22Br2 — CID 13111000

IUPAC1,2-dibromocyclododecane
SMILESBrC1CCCCCCCCCCC1Br
InChIInChI=1S/C12H22Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12H,1-10H2
InChIKeyPZRITHASQSMCIZ-UHFFFAOYSA-N
MW326.12 g/mol
LogP5.43
Rot. Bonds

About 1,2-dibromocyclododecane

1,2-dibromocyclododecane (PubChem CID 13111000) has the molecular formula C12H22Br2 and a molecular weight of 326.12 g/mol. Its IUPAC name is 1,2-dibromocyclododecane.

Molecular Properties

Compound Name1,2-dibromocyclododecane
PubChem CID13111000
Molecular FormulaC12H22Br2
Molecular Weight326.12 g/mol
Exact Mass324.01
IUPAC Name1,2-dibromocyclododecane
SMILESBrC1CCCCCCCCCCC1Br
InChIInChI=1S/C12H22Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12H,1-10H2
InChIKeyPZRITHASQSMCIZ-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.12
LogP ≤ 55.43
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 1,2-dibromocyclododecane?
The IUPAC name of 1,2-dibromocyclododecane (CID 13111000) is 1,2-dibromocyclododecane.
What is the SMILES notation for 1,2-dibromocyclododecane?
The canonical SMILES for 1,2-dibromocyclododecane is BrC1CCCCCCCCCCC1Br.
What is the InChIKey of 1,2-dibromocyclododecane?
The InChIKey is PZRITHASQSMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12H,1-10H2.
What are the key properties of 1,2-dibromocyclododecane?
1,2-dibromocyclododecane has a molecular weight of 326.12 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromocyclododecane is sourced from PubChem (CID 13111000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).