1-(trioxidanylperoxy)hexane

C6H14O5 — CID 88956147

IUPAC1-(trioxidanylperoxy)hexane
SMILESCCCCCCOOOOO
InChIInChI=1S/C6H14O5/c1-2-3-4-5-6-8-10-11-9-7/h7H,2-6H2,1H3
InChIKeyBHPTVWOVSNGHLZ-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.85
Rot. Bonds8

About 1-(trioxidanylperoxy)hexane

1-(trioxidanylperoxy)hexane (PubChem CID 88956147) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(trioxidanylperoxy)hexane.

Molecular Properties

Compound Name1-(trioxidanylperoxy)hexane
PubChem CID88956147
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name1-(trioxidanylperoxy)hexane
SMILESCCCCCCOOOOO
InChIInChI=1S/C6H14O5/c1-2-3-4-5-6-8-10-11-9-7/h7H,2-6H2,1H3
InChIKeyBHPTVWOVSNGHLZ-UHFFFAOYSA-N
XLogP1.85
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-(trioxidanylperoxy)hexane?
The IUPAC name of 1-(trioxidanylperoxy)hexane (CID 88956147) is 1-(trioxidanylperoxy)hexane.
What is the SMILES notation for 1-(trioxidanylperoxy)hexane?
The canonical SMILES for 1-(trioxidanylperoxy)hexane is CCCCCCOOOOO.
What is the InChIKey of 1-(trioxidanylperoxy)hexane?
The InChIKey is BHPTVWOVSNGHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5/c1-2-3-4-5-6-8-10-11-9-7/h7H,2-6H2,1H3.
What are the key properties of 1-(trioxidanylperoxy)hexane?
1-(trioxidanylperoxy)hexane has a molecular weight of 166.17 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trioxidanylperoxy)hexane is sourced from PubChem (CID 88956147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).