1-hydroperoxyperoxy-22-pentoxydocosane

C27H56O5 — CID 118460849

IUPAC1-hydroperoxyperoxy-22-pentoxydocosane
SMILESCCCCCOCCCCCCCCCCCCCCCCCCCCCCOOOO
InChIInChI=1S/C27H56O5/c1-2-3-22-25-29-26-23-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-27-30-32-31-28/h28H,2-27H2,1H3
InChIKeyUZHDXBUIHXCVPE-UHFFFAOYSA-N
MW460.74 g/mol
LogP9.35
Rot. Bonds29

About 1-hydroperoxyperoxy-22-pentoxydocosane

1-hydroperoxyperoxy-22-pentoxydocosane (PubChem CID 118460849) has the molecular formula C27H56O5 and a molecular weight of 460.74 g/mol. Its IUPAC name is 1-hydroperoxyperoxy-22-pentoxydocosane.

Molecular Properties

Compound Name1-hydroperoxyperoxy-22-pentoxydocosane
PubChem CID118460849
Molecular FormulaC27H56O5
Molecular Weight460.74 g/mol
Exact Mass460.41
IUPAC Name1-hydroperoxyperoxy-22-pentoxydocosane
SMILESCCCCCOCCCCCCCCCCCCCCCCCCCCCCOOOO
InChIInChI=1S/C27H56O5/c1-2-3-22-25-29-26-23-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-27-30-32-31-28/h28H,2-27H2,1H3
InChIKeyUZHDXBUIHXCVPE-UHFFFAOYSA-N
XLogP9.35
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 59.35
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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Related Compounds

1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-(2-hydroperoxyethoxy)tridecane
CID 87578926
1-(trioxidanyl)tetradecane
CID 90111770

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxyperoxy-22-pentoxydocosane?
The IUPAC name of 1-hydroperoxyperoxy-22-pentoxydocosane (CID 118460849) is 1-hydroperoxyperoxy-22-pentoxydocosane.
What is the SMILES notation for 1-hydroperoxyperoxy-22-pentoxydocosane?
The canonical SMILES for 1-hydroperoxyperoxy-22-pentoxydocosane is CCCCCOCCCCCCCCCCCCCCCCCCCCCCOOOO.
What is the InChIKey of 1-hydroperoxyperoxy-22-pentoxydocosane?
The InChIKey is UZHDXBUIHXCVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O5/c1-2-3-22-25-29-26-23-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-27-30-32-31-28/h28H,2-27H2,1H3.
What are the key properties of 1-hydroperoxyperoxy-22-pentoxydocosane?
1-hydroperoxyperoxy-22-pentoxydocosane has a molecular weight of 460.74 g/mol, XLogP of 9.35, 29 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxyperoxy-22-pentoxydocosane is sourced from PubChem (CID 118460849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).