1,4-dibromononane

C9H18Br2 — CID 123668754

IUPAC1,4-dibromononane
SMILESCCCCCC(Br)CCCBr
InChIInChI=1S/C9H18Br2/c1-2-3-4-6-9(11)7-5-8-10/h9H,2-8H2,1H3
InChIKeyVEOYVOYDYMCALY-UHFFFAOYSA-N
MW286.05 g/mol
LogP4.51
Rot. Bonds7

About 1,4-dibromononane

1,4-dibromononane (PubChem CID 123668754) has the molecular formula C9H18Br2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 1,4-dibromononane.

Molecular Properties

Compound Name1,4-dibromononane
PubChem CID123668754
Molecular FormulaC9H18Br2
Molecular Weight286.05 g/mol
Exact Mass283.98
IUPAC Name1,4-dibromononane
SMILESCCCCCC(Br)CCCBr
InChIInChI=1S/C9H18Br2/c1-2-3-4-6-9(11)7-5-8-10/h9H,2-8H2,1H3
InChIKeyVEOYVOYDYMCALY-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 54.51
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

1,6-dibromododecane
CID 18940788
1,3-dibromoundecane
CID 122583600
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,4-dibromo-7-chlorododecane
CID 122583599
(3R)-1,3-dibromoheptane
CID 129379896
15-(3-bromopropyl)hentriacontane
CID 18674718
9-(3-bromopropyl)heptadecane
CID 5152723
9-(3-bromopropyl)nonadecane
CID 141467595
1-bromo-4-methyldecane
CID 14069922

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromononane?
The IUPAC name of 1,4-dibromononane (CID 123668754) is 1,4-dibromononane.
What is the SMILES notation for 1,4-dibromononane?
The canonical SMILES for 1,4-dibromononane is CCCCCC(Br)CCCBr.
What is the InChIKey of 1,4-dibromononane?
The InChIKey is VEOYVOYDYMCALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2/c1-2-3-4-6-9(11)7-5-8-10/h9H,2-8H2,1H3.
What are the key properties of 1,4-dibromononane?
1,4-dibromononane has a molecular weight of 286.05 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromononane is sourced from PubChem (CID 123668754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).