1,3-dibromoundecane

C11H22Br2 — CID 122583600

IUPAC1,3-dibromoundecane
SMILESCCCCCCCCC(Br)CCBr
InChIInChI=1S/C11H22Br2/c1-2-3-4-5-6-7-8-11(13)9-10-12/h11H,2-10H2,1H3
InChIKeyCJOGJWXWDVZBIL-UHFFFAOYSA-N
MW314.11 g/mol
LogP5.29
Rot. Bonds9

About 1,3-dibromoundecane

1,3-dibromoundecane (PubChem CID 122583600) has the molecular formula C11H22Br2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 1,3-dibromoundecane.

Molecular Properties

Compound Name1,3-dibromoundecane
PubChem CID122583600
Molecular FormulaC11H22Br2
Molecular Weight314.11 g/mol
Exact Mass312.01
IUPAC Name1,3-dibromoundecane
SMILESCCCCCCCCC(Br)CCBr
InChIInChI=1S/C11H22Br2/c1-2-3-4-5-6-7-8-11(13)9-10-12/h11H,2-10H2,1H3
InChIKeyCJOGJWXWDVZBIL-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.11
LogP ≤ 55.29
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-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
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-dibromoundecane?
The IUPAC name of 1,3-dibromoundecane (CID 122583600) is 1,3-dibromoundecane.
What is the SMILES notation for 1,3-dibromoundecane?
The canonical SMILES for 1,3-dibromoundecane is CCCCCCCCC(Br)CCBr.
What is the InChIKey of 1,3-dibromoundecane?
The InChIKey is CJOGJWXWDVZBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br2/c1-2-3-4-5-6-7-8-11(13)9-10-12/h11H,2-10H2,1H3.
What are the key properties of 1,3-dibromoundecane?
1,3-dibromoundecane has a molecular weight of 314.11 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromoundecane is sourced from PubChem (CID 122583600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).