1-pentylperoxypentane;sulfane

C10H24O2S — CID 174916685

IUPAC1-pentylperoxypentane;sulfane
SMILESCCCCCOOCCCCC.S
InChIInChI=1S/C10H22O2.H2S/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-10H2,1-2H3;1H2
InChIKeyQNUYFVGADJDIKN-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.43
Rot. Bonds9

About 1-pentylperoxypentane;sulfane

1-pentylperoxypentane;sulfane (PubChem CID 174916685) has the molecular formula C10H24O2S and a molecular weight of 208.37 g/mol. Its IUPAC name is 1-pentylperoxypentane;sulfane.

Molecular Properties

Compound Name1-pentylperoxypentane;sulfane
PubChem CID174916685
Molecular FormulaC10H24O2S
Molecular Weight208.37 g/mol
Exact Mass208.15
IUPAC Name1-pentylperoxypentane;sulfane
SMILESCCCCCOOCCCCC.S
InChIInChI=1S/C10H22O2.H2S/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-10H2,1-2H3;1H2
InChIKeyQNUYFVGADJDIKN-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.43
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'}

Analyze 1-pentylperoxypentane;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octylperoxynonane
CID 151564626
1-butylperoxybutane
CID 159275797
1-butylperoxybutane;hydrate
CID 158567350
1-butylperoxybutane;hydrogen peroxide
CID 162033267
1-butylperoxyperoxynonane
CID 90169675
pentoxy hypofluorite
CID 164522795
1-methylperoxydocosane
CID 173387093
1-butoxyperoxynonane
CID 90110144
1-methylperoxydecane
CID 20726912
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
CID 175685461
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
trimethyl(3-pentylperoxypropyl)silane
CID 174799290

Frequently Asked Questions

What is the IUPAC name of 1-pentylperoxypentane;sulfane?
The IUPAC name of 1-pentylperoxypentane;sulfane (CID 174916685) is 1-pentylperoxypentane;sulfane.
What is the SMILES notation for 1-pentylperoxypentane;sulfane?
The canonical SMILES for 1-pentylperoxypentane;sulfane is CCCCCOOCCCCC.S.
What is the InChIKey of 1-pentylperoxypentane;sulfane?
The InChIKey is QNUYFVGADJDIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.H2S/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-10H2,1-2H3;1H2.
What are the key properties of 1-pentylperoxypentane;sulfane?
1-pentylperoxypentane;sulfane has a molecular weight of 208.37 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylperoxypentane;sulfane is sourced from PubChem (CID 174916685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).