1,9-bis(trioxidanyl)nonane

C9H20O6 — CID 175757644

IUPAC1,9-bis(trioxidanyl)nonane
SMILESOOOCCCCCCCCCOOO
InChIInChI=1S/C9H20O6/c10-14-12-8-6-4-2-1-3-5-7-9-13-15-11/h10-11H,1-9H2
InChIKeyXXUYSJIAAAHHLE-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.56
Rot. Bonds12

About 1,9-bis(trioxidanyl)nonane

1,9-bis(trioxidanyl)nonane (PubChem CID 175757644) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1,9-bis(trioxidanyl)nonane.

Molecular Properties

Compound Name1,9-bis(trioxidanyl)nonane
PubChem CID175757644
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name1,9-bis(trioxidanyl)nonane
SMILESOOOCCCCCCCCCOOO
InChIInChI=1S/C9H20O6/c10-14-12-8-6-4-2-1-3-5-7-9-13-15-11/h10-11H,1-9H2
InChIKeyXXUYSJIAAAHHLE-UHFFFAOYSA-N
XLogP2.56
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

8-(trioxidanyl)octan-1-ol
CID 87737807
1-(trioxidanyl)tetradecane
CID 90111770
7-(trioxidanyl)hept-1-ene
CID 90829366
7-(trioxidanyl)heptanoic acid
CID 150083472
10,10-diethyl-1-(trioxidanyl)dodecane
CID 140733466
13,13-dibutyl-1-(trioxidanyl)heptadecane
CID 140639980
9-hydroperoxyperoxynonane-1-thiol
CID 87496705
20-(trioxidanyl)icosa-2,4,6-trienoic acid
CID 54073046
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
1-hydroperoxyperoxy-9,9-dimethyldecane
CID 140733484
1-hydroperoxyperoxy-22-pentoxydocosane
CID 118460849
16-(trioxidanylperoxyperoxy)hexadecyl nitrite
CID 88540912

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(trioxidanyl)nonane?
The IUPAC name of 1,9-bis(trioxidanyl)nonane (CID 175757644) is 1,9-bis(trioxidanyl)nonane.
What is the SMILES notation for 1,9-bis(trioxidanyl)nonane?
The canonical SMILES for 1,9-bis(trioxidanyl)nonane is OOOCCCCCCCCCOOO.
What is the InChIKey of 1,9-bis(trioxidanyl)nonane?
The InChIKey is XXUYSJIAAAHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6/c10-14-12-8-6-4-2-1-3-5-7-9-13-15-11/h10-11H,1-9H2.
What are the key properties of 1,9-bis(trioxidanyl)nonane?
1,9-bis(trioxidanyl)nonane has a molecular weight of 224.25 g/mol, XLogP of 2.56, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(trioxidanyl)nonane is sourced from PubChem (CID 175757644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).