1,5-dibromo-2,6-dichlorocyclododecane

C12H20Br2Cl2 — CID 19912716

IUPAC1,5-dibromo-2,6-dichlorocyclododecane
SMILESClC1CCC(Br)C(Cl)CCCCCCC1Br
InChIInChI=1S/C12H20Br2Cl2/c13-9-5-3-1-2-4-6-11(15)10(14)7-8-12(9)16/h9-12H,1-8H2
InChIKeyMORHLMMHRDVYMM-UHFFFAOYSA-N
MW395.01 g/mol
LogP5.86
Rot. Bonds

About 1,5-dibromo-2,6-dichlorocyclododecane

1,5-dibromo-2,6-dichlorocyclododecane (PubChem CID 19912716) has the molecular formula C12H20Br2Cl2 and a molecular weight of 395.01 g/mol. Its IUPAC name is 1,5-dibromo-2,6-dichlorocyclododecane.

Molecular Properties

Compound Name1,5-dibromo-2,6-dichlorocyclododecane
PubChem CID19912716
Molecular FormulaC12H20Br2Cl2
Molecular Weight395.01 g/mol
Exact Mass391.93
IUPAC Name1,5-dibromo-2,6-dichlorocyclododecane
SMILESClC1CCC(Br)C(Cl)CCCCCCC1Br
InChIInChI=1S/C12H20Br2Cl2/c13-9-5-3-1-2-4-6-11(15)10(14)7-8-12(9)16/h9-12H,1-8H2
InChIKeyMORHLMMHRDVYMM-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.01
LogP ≤ 55.86
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

1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
1,2-dibromocyclodecane
CID 73175476
1,2-dibromocyclododecane
CID 13111000
(1S,2S,3S,4S,5S,6S)-1,2,3,4,5,6-hexabromocyclododecane
CID 76964962
alumane;1,2,3,4,5,6-hexabromocyclododecane
CID 174675099
trans-(1S,2S)-2-chlorocyclooctan-1-ol
CID 15084407
1-chloro-2-iodocyclooctane
CID 74820924
(2R)-2-bromocyclododecan-1-ol
CID 177392734
trans-(1R,2R)-1-bromo-2-fluorocycloheptane
CID 11446885
2-chlorocyclooctan-1-ol
CID 15084406
1,2,3,4,5,6-hexachlorocyclodecane
CID 23497888
(1R,2R,5R,6S,10R)-1,2,5,6,9,10-hexabromocyclododecane
CID 177386229

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,6-dichlorocyclododecane?
The IUPAC name of 1,5-dibromo-2,6-dichlorocyclododecane (CID 19912716) is 1,5-dibromo-2,6-dichlorocyclododecane.
What is the SMILES notation for 1,5-dibromo-2,6-dichlorocyclododecane?
The canonical SMILES for 1,5-dibromo-2,6-dichlorocyclododecane is ClC1CCC(Br)C(Cl)CCCCCCC1Br.
What is the InChIKey of 1,5-dibromo-2,6-dichlorocyclododecane?
The InChIKey is MORHLMMHRDVYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2Cl2/c13-9-5-3-1-2-4-6-11(15)10(14)7-8-12(9)16/h9-12H,1-8H2.
What are the key properties of 1,5-dibromo-2,6-dichlorocyclododecane?
1,5-dibromo-2,6-dichlorocyclododecane has a molecular weight of 395.01 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,6-dichlorocyclododecane is sourced from PubChem (CID 19912716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).