1-hydroperoxyperoxyperoxyperoxy-2-methyloctane

C9H20O8 — CID 89046298

IUPAC1-hydroperoxyperoxyperoxyperoxy-2-methyloctane
SMILESCCCCCCC(C)COOOOOOOO
InChIInChI=1S/C9H20O8/c1-3-4-5-6-7-9(2)8-11-13-15-17-16-14-12-10/h9-10H,3-8H2,1-2H3
InChIKeyQHLSTXPSHVUAFJ-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.67
Rot. Bonds13

About 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane

1-hydroperoxyperoxyperoxyperoxy-2-methyloctane (PubChem CID 89046298) has the molecular formula C9H20O8 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane.

Molecular Properties

Compound Name1-hydroperoxyperoxyperoxyperoxy-2-methyloctane
PubChem CID89046298
Molecular FormulaC9H20O8
Molecular Weight256.25 g/mol
Exact Mass256.12
IUPAC Name1-hydroperoxyperoxyperoxyperoxy-2-methyloctane
SMILESCCCCCCC(C)COOOOOOOO
InChIInChI=1S/C9H20O8/c1-3-4-5-6-7-9(2)8-11-13-15-17-16-14-12-10/h9-10H,3-8H2,1-2H3
InChIKeyQHLSTXPSHVUAFJ-UHFFFAOYSA-N
XLogP2.67
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

1-hydroperoxyperoxy-2-methylhexane
CID 88552225
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
6-methyloctacosane
CID 22223942
15-methylhexatriacontane
CID 86002594
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane?
The IUPAC name of 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane (CID 89046298) is 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane.
What is the SMILES notation for 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane?
The canonical SMILES for 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane is CCCCCCC(C)COOOOOOOO.
What is the InChIKey of 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane?
The InChIKey is QHLSTXPSHVUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O8/c1-3-4-5-6-7-9(2)8-11-13-15-17-16-14-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane?
1-hydroperoxyperoxyperoxyperoxy-2-methyloctane has a molecular weight of 256.25 g/mol, XLogP of 2.67, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxyperoxyperoxyperoxy-2-methyloctane is sourced from PubChem (CID 89046298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).