1-propylperoxyperoxydodecane

C15H32O4 — CID 90108856

IUPAC1-propylperoxyperoxydodecane
SMILESCCCCCCCCCCCCOOOOCCC
InChIInChI=1S/C15H32O4/c1-3-5-6-7-8-9-10-11-12-13-15-17-19-18-16-14-4-2/h3-15H2,1-2H3
InChIKeyOQUZOBBFCBFGMY-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.13
Rot. Bonds16

About 1-propylperoxyperoxydodecane

1-propylperoxyperoxydodecane (PubChem CID 90108856) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-propylperoxyperoxydodecane.

Molecular Properties

Compound Name1-propylperoxyperoxydodecane
PubChem CID90108856
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name1-propylperoxyperoxydodecane
SMILESCCCCCCCCCCCCOOOOCCC
InChIInChI=1S/C15H32O4/c1-3-5-6-7-8-9-10-11-12-13-15-17-19-18-16-14-4-2/h3-15H2,1-2H3
InChIKeyOQUZOBBFCBFGMY-UHFFFAOYSA-N
XLogP5.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-propoxyperoxyundecane
CID 90109462
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144
1-octylperoxynonane
CID 151564626
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
CID 172554263
CID 172554263
CID 178078654
CID 178078654
1-ethenylperoxyperoxyhexane
CID 18622337
1-pentylperoxypentane;sulfane
CID 174916685
1-nonylsulfanylperoxyperoxynonane
CID 58877381
tridecylperoxyperoxyperoxymethanediol
CID 172677968
octoxyperoxy hydrogen carbonate
CID 23448449

Frequently Asked Questions

What is the IUPAC name of 1-propylperoxyperoxydodecane?
The IUPAC name of 1-propylperoxyperoxydodecane (CID 90108856) is 1-propylperoxyperoxydodecane.
What is the SMILES notation for 1-propylperoxyperoxydodecane?
The canonical SMILES for 1-propylperoxyperoxydodecane is CCCCCCCCCCCCOOOOCCC.
What is the InChIKey of 1-propylperoxyperoxydodecane?
The InChIKey is OQUZOBBFCBFGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-3-5-6-7-8-9-10-11-12-13-15-17-19-18-16-14-4-2/h3-15H2,1-2H3.
What are the key properties of 1-propylperoxyperoxydodecane?
1-propylperoxyperoxydodecane has a molecular weight of 276.42 g/mol, XLogP of 5.13, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylperoxyperoxydodecane is sourced from PubChem (CID 90108856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).