5,6-dibromocyclododeca-1,3-diene

C12H18Br2 — CID 67848452

IUPAC5,6-dibromocyclododeca-1,3-diene
SMILESBrC1C=CC=CCCCCCCC1Br
InChIInChI=1S/C12H18Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3,5,7,9,11-12H,1-2,4,6,8,10H2
InChIKeyHPHJREGUOJAMET-UHFFFAOYSA-N
MW322.08 g/mol
LogP4.98
Rot. Bonds

About 5,6-dibromocyclododeca-1,3-diene

5,6-dibromocyclododeca-1,3-diene (PubChem CID 67848452) has the molecular formula C12H18Br2 and a molecular weight of 322.08 g/mol. Its IUPAC name is 5,6-dibromocyclododeca-1,3-diene.

Molecular Properties

Compound Name5,6-dibromocyclododeca-1,3-diene
PubChem CID67848452
Molecular FormulaC12H18Br2
Molecular Weight322.08 g/mol
Exact Mass319.98
IUPAC Name5,6-dibromocyclododeca-1,3-diene
SMILESBrC1C=CC=CCCCCCCC1Br
InChIInChI=1S/C12H18Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3,5,7,9,11-12H,1-2,4,6,8,10H2
InChIKeyHPHJREGUOJAMET-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870
(1Z)-cyclononacosa-1,3-diene
CID 162365218
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene
CID 21249473
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 90691443
(1E,3E,5Z,7E,9Z,11Z,13E)-cyclopentacosa-1,3,5,7,9,11,13,15-octaene
CID 173020996

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromocyclododeca-1,3-diene?
The IUPAC name of 5,6-dibromocyclododeca-1,3-diene (CID 67848452) is 5,6-dibromocyclododeca-1,3-diene.
What is the SMILES notation for 5,6-dibromocyclododeca-1,3-diene?
The canonical SMILES for 5,6-dibromocyclododeca-1,3-diene is BrC1C=CC=CCCCCCCC1Br.
What is the InChIKey of 5,6-dibromocyclododeca-1,3-diene?
The InChIKey is HPHJREGUOJAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3,5,7,9,11-12H,1-2,4,6,8,10H2.
What are the key properties of 5,6-dibromocyclododeca-1,3-diene?
5,6-dibromocyclododeca-1,3-diene has a molecular weight of 322.08 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromocyclododeca-1,3-diene is sourced from PubChem (CID 67848452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).