2-hydroperoxyperoxyperoxyhexane

C6H14O6 — CID 87664720

IUPAC2-hydroperoxyperoxyperoxyhexane
SMILESCCCCC(C)OOOOOO
InChIInChI=1S/C6H14O6/c1-3-4-5-6(2)8-10-12-11-9-7/h6-7H,3-5H2,1-2H3
InChIKeyWESSTNVSURACEK-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.78
Rot. Bonds8

About 2-hydroperoxyperoxyperoxyhexane

2-hydroperoxyperoxyperoxyhexane (PubChem CID 87664720) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-hydroperoxyperoxyperoxyhexane.

Molecular Properties

Compound Name2-hydroperoxyperoxyperoxyhexane
PubChem CID87664720
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name2-hydroperoxyperoxyperoxyhexane
SMILESCCCCC(C)OOOOOO
InChIInChI=1S/C6H14O6/c1-3-4-5-6(2)8-10-12-11-9-7/h6-7H,3-5H2,1-2H3
InChIKeyWESSTNVSURACEK-UHFFFAOYSA-N
XLogP1.78
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
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

2-(trioxidanyl)undecane
CID 140733486
1-hydroperoxyperoxy-2-methylhexane
CID 88552225
1-hydroperoxyperoxyperoxyperoxy-2-methyloctane
CID 89046298
hexan-2-yl butaneperoxoate
CID 88922989
ethane;2-methoxyhexane
CID 91199174
hexan-2-yloxyboronic acid
CID 159771152
hexan-2-ol;zirconium
CID 174835617
4-hydroperoxyperoxyundecane
CID 141347874
3-hydroperoxyperoxytetradecane
CID 140639805
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
2-hydroperoxyperoxy-4-methylpentane
CID 88547567
2-hexan-2-yloxy-5-methylhexane
CID 91272362

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyperoxyperoxyhexane?
The IUPAC name of 2-hydroperoxyperoxyperoxyhexane (CID 87664720) is 2-hydroperoxyperoxyperoxyhexane.
What is the SMILES notation for 2-hydroperoxyperoxyperoxyhexane?
The canonical SMILES for 2-hydroperoxyperoxyperoxyhexane is CCCCC(C)OOOOOO.
What is the InChIKey of 2-hydroperoxyperoxyperoxyhexane?
The InChIKey is WESSTNVSURACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6/c1-3-4-5-6(2)8-10-12-11-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-hydroperoxyperoxyperoxyhexane?
2-hydroperoxyperoxyperoxyhexane has a molecular weight of 182.17 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyperoxyperoxyhexane is sourced from PubChem (CID 87664720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).