gold;1,1,2,2,3,3-hexabromocyclododecane

C12H18AuBr6 — CID 174628805

IUPACgold;1,1,2,2,3,3-hexabromocyclododecane
SMILESBrC1(Br)CCCCCCCCCC(Br)(Br)C1(Br)Br.[Au]
InChIInChI=1S/C12H18Br6.Au/c13-10(14)8-6-4-2-1-3-5-7-9-11(15,16)12(10,17)18;/h1-9H2;
InChIKeyUDYZQZVUNCYUBB-UHFFFAOYSA-N
MW838.67 g/mol
LogP7.97
Rot. Bonds

About gold;1,1,2,2,3,3-hexabromocyclododecane

gold;1,1,2,2,3,3-hexabromocyclododecane (PubChem CID 174628805) has the molecular formula C12H18AuBr6 and a molecular weight of 838.67 g/mol. Its IUPAC name is gold;1,1,2,2,3,3-hexabromocyclododecane.

Molecular Properties

Compound Namegold;1,1,2,2,3,3-hexabromocyclododecane
PubChem CID174628805
Molecular FormulaC12H18AuBr6
Molecular Weight838.67 g/mol
Exact Mass832.62
IUPAC Namegold;1,1,2,2,3,3-hexabromocyclododecane
SMILESBrC1(Br)CCCCCCCCCC(Br)(Br)C1(Br)Br.[Au]
InChIInChI=1S/C12H18Br6.Au/c13-10(14)8-6-4-2-1-3-5-7-9-11(15,16)12(10,17)18;/h1-9H2;
InChIKeyUDYZQZVUNCYUBB-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.67
LogP ≤ 57.97
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 gold;1,1,2,2,3,3-hexabromocyclododecane?
The IUPAC name of gold;1,1,2,2,3,3-hexabromocyclododecane (CID 174628805) is gold;1,1,2,2,3,3-hexabromocyclododecane.
What is the SMILES notation for gold;1,1,2,2,3,3-hexabromocyclododecane?
The canonical SMILES for gold;1,1,2,2,3,3-hexabromocyclododecane is BrC1(Br)CCCCCCCCCC(Br)(Br)C1(Br)Br.[Au].
What is the InChIKey of gold;1,1,2,2,3,3-hexabromocyclododecane?
The InChIKey is UDYZQZVUNCYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br6.Au/c13-10(14)8-6-4-2-1-3-5-7-9-11(15,16)12(10,17)18;/h1-9H2;.
What are the key properties of gold;1,1,2,2,3,3-hexabromocyclododecane?
gold;1,1,2,2,3,3-hexabromocyclododecane has a molecular weight of 838.67 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for gold;1,1,2,2,3,3-hexabromocyclododecane is sourced from PubChem (CID 174628805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).