1,9-dibromononane

C9H18Br2 — CID 20677

IUPAC1,9-dibromononane
SMILESBrCCCCCCCCCBr
InChIInChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
InChIKeyWGAXVZXBFBHLMC-UHFFFAOYSA-N
MW286.05 g/mol
LogP4.51
Rot. Bonds8

About 1,9-dibromononane

1,9-dibromononane (PubChem CID 20677) has the molecular formula C9H18Br2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 1,9-dibromononane.

Molecular Properties

Compound Name1,9-dibromononane
PubChem CID20677
Molecular FormulaC9H18Br2
Molecular Weight286.05 g/mol
Exact Mass283.98
IUPAC Name1,9-dibromononane
SMILESBrCCCCCCCCCBr
InChIInChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
InChIKeyWGAXVZXBFBHLMC-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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-Bromodecane
CID 8173
1-Bromododecane
CID 8919
1,2,5,6,9,10-Hexabromocyclododecane
CID 18529
Hexabromocyclododecane
CID 33121
1-Bromooctane
CID 8140
1-Bromotridecane
CID 13000
1-Bromopentadecane
CID 12394
1-Bromoundecane
CID 12744
Myristyl bromide
CID 8208
1-Bromononane
CID 12742
1,12-Dibromododecane
CID 18766
Sec-octyl bromide, (+-)-
CID 79046

Frequently Asked Questions

What is the IUPAC name of 1,9-dibromononane?
The IUPAC name of 1,9-dibromononane (CID 20677) is 1,9-dibromononane.
What is the SMILES notation for 1,9-dibromononane?
The canonical SMILES for 1,9-dibromononane is BrCCCCCCCCCBr.
What is the InChIKey of 1,9-dibromononane?
The InChIKey is WGAXVZXBFBHLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2.
What are the key properties of 1,9-dibromononane?
1,9-dibromononane has a molecular weight of 286.05 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dibromononane is sourced from PubChem (CID 20677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).