1-nonylsulfanylperoxyperoxynonane

C18H38O4S — CID 58877381

IUPAC1-nonylsulfanylperoxyperoxynonane
SMILESCCCCCCCCCOOOOSCCCCCCCCC
InChIInChI=1S/C18H38O4S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyGJLXNPRLXCULNS-UHFFFAOYSA-N
MW350.57 g/mol
LogP6.95
Rot. Bonds20

About 1-nonylsulfanylperoxyperoxynonane

1-nonylsulfanylperoxyperoxynonane (PubChem CID 58877381) has the molecular formula C18H38O4S and a molecular weight of 350.57 g/mol. Its IUPAC name is 1-nonylsulfanylperoxyperoxynonane.

Molecular Properties

Compound Name1-nonylsulfanylperoxyperoxynonane
PubChem CID58877381
Molecular FormulaC18H38O4S
Molecular Weight350.57 g/mol
Exact Mass350.25
IUPAC Name1-nonylsulfanylperoxyperoxynonane
SMILESCCCCCCCCCOOOOSCCCCCCCCC
InChIInChI=1S/C18H38O4S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyGJLXNPRLXCULNS-UHFFFAOYSA-N
XLogP6.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 56.95
H-Bond Donors ≤ 50
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butylperoxyperoxynonane
CID 90169675
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
1-propoxyperoxyundecane
CID 90109462
1-octylperoxynonane
CID 151564626
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
octoxyperoxy hydrogen carbonate
CID 23448449
1-hexylsulfanyloxysulfanylhexane
CID 87712017
CID 172554263
CID 172554263
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711

Frequently Asked Questions

What is the IUPAC name of 1-nonylsulfanylperoxyperoxynonane?
The IUPAC name of 1-nonylsulfanylperoxyperoxynonane (CID 58877381) is 1-nonylsulfanylperoxyperoxynonane.
What is the SMILES notation for 1-nonylsulfanylperoxyperoxynonane?
The canonical SMILES for 1-nonylsulfanylperoxyperoxynonane is CCCCCCCCCOOOOSCCCCCCCCC.
What is the InChIKey of 1-nonylsulfanylperoxyperoxynonane?
The InChIKey is GJLXNPRLXCULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1-nonylsulfanylperoxyperoxynonane?
1-nonylsulfanylperoxyperoxynonane has a molecular weight of 350.57 g/mol, XLogP of 6.95, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylsulfanylperoxyperoxynonane is sourced from PubChem (CID 58877381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).