1,6-dibromododecane

C12H24Br2 — CID 18940788

IUPAC1,6-dibromododecane
SMILESCCCCCCC(Br)CCCCCBr
InChIInChI=1S/C12H24Br2/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h12H,2-11H2,1H3
InChIKeyLEUQPSNQNUSSEY-UHFFFAOYSA-N
MW328.13 g/mol
LogP5.68
Rot. Bonds10

About 1,6-dibromododecane

1,6-dibromododecane (PubChem CID 18940788) has the molecular formula C12H24Br2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 1,6-dibromododecane.

Molecular Properties

Compound Name1,6-dibromododecane
PubChem CID18940788
Molecular FormulaC12H24Br2
Molecular Weight328.13 g/mol
Exact Mass326.02
IUPAC Name1,6-dibromododecane
SMILESCCCCCCC(Br)CCCCCBr
InChIInChI=1S/C12H24Br2/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h12H,2-11H2,1H3
InChIKeyLEUQPSNQNUSSEY-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.13
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromononane
CID 123668754
1,3-dibromoundecane
CID 122583600
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
11-(7-bromoheptyl)tricosane
CID 175669850
1-bromo-8-pentyltridecane
CID 177012761
1-bromononadecane
CID 20496
1-bromooctane
CID 159764808
1-bromooctadecane
CID 8218
(3R)-1,3-dibromoheptane
CID 129379896

Frequently Asked Questions

What is the IUPAC name of 1,6-dibromododecane?
The IUPAC name of 1,6-dibromododecane (CID 18940788) is 1,6-dibromododecane.
What is the SMILES notation for 1,6-dibromododecane?
The canonical SMILES for 1,6-dibromododecane is CCCCCCC(Br)CCCCCBr.
What is the InChIKey of 1,6-dibromododecane?
The InChIKey is LEUQPSNQNUSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br2/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h12H,2-11H2,1H3.
What are the key properties of 1,6-dibromododecane?
1,6-dibromododecane has a molecular weight of 328.13 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromododecane is sourced from PubChem (CID 18940788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).