1,3-dibromododecane

C12H24Br2 — CID 122583611

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

About 1,3-dibromododecane

1,3-dibromododecane (PubChem CID 122583611) has the molecular formula C12H24Br2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 1,3-dibromododecane.

Molecular Properties

Compound Name1,3-dibromododecane
PubChem CID122583611
Molecular FormulaC12H24Br2
Molecular Weight328.13 g/mol
Exact Mass326.02
IUPAC Name1,3-dibromododecane
SMILESCCCCCCCCCC(Br)CCBr
InChIInChI=1S/C12H24Br2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h12H,2-11H2,1H3
InChIKeyJODMUIBJDMUIAW-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

1,3-dibromoundecane
CID 122583600
1,3-dibromopentadecane
CID 122583568
1,6-dibromododecane
CID 18940788
(3R)-1,3-dibromoheptane
CID 129379896
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,4-dibromononane
CID 123668754
3-bromoundecan-1-ol
CID 162349376
2-bromo-1-fluorododecane
CID 12938124
15-(2-bromoethyl)triacontane
CID 121349535
14-(2-bromoethyl)octacosane
CID 121349528
(3R)-1-bromo-3-methyltridecane
CID 154310087

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromododecane?
The IUPAC name of 1,3-dibromododecane (CID 122583611) is 1,3-dibromododecane.
What is the SMILES notation for 1,3-dibromododecane?
The canonical SMILES for 1,3-dibromododecane is CCCCCCCCCC(Br)CCBr.
What is the InChIKey of 1,3-dibromododecane?
The InChIKey is JODMUIBJDMUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h12H,2-11H2,1H3.
What are the key properties of 1,3-dibromododecane?
1,3-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 1,3-dibromododecane is sourced from PubChem (CID 122583611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).