1-decylperoxydecane

C20H42O2 — CID 15687737

IUPAC1-decylperoxydecane
SMILESCCCCCCCCCCOOCCCCCCCCCC
InChIInChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyOMMGZSUKFYZRCV-UHFFFAOYSA-N
MW314.55 g/mol
LogP7.22
Rot. Bonds19

About 1-decylperoxydecane

1-decylperoxydecane (PubChem CID 15687737) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 1-decylperoxydecane.

Molecular Properties

Compound Name1-decylperoxydecane
PubChem CID15687737
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name1-decylperoxydecane
SMILESCCCCCCCCCCOOCCCCCCCCCC
InChIInChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyOMMGZSUKFYZRCV-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-decylperoxydecane?
The IUPAC name of 1-decylperoxydecane (CID 15687737) is 1-decylperoxydecane.
What is the SMILES notation for 1-decylperoxydecane?
The canonical SMILES for 1-decylperoxydecane is CCCCCCCCCCOOCCCCCCCCCC.
What is the InChIKey of 1-decylperoxydecane?
The InChIKey is OMMGZSUKFYZRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 1-decylperoxydecane?
1-decylperoxydecane has a molecular weight of 314.55 g/mol, XLogP of 7.22, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylperoxydecane is sourced from PubChem (CID 15687737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).