5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol

C15H32O2SSe — CID 101478203

IUPAC5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
SMILESOCCCCCSCCCCC[Se]CCCCCO
InChIInChI=1S/C15H32O2SSe/c16-10-4-1-6-12-18-13-7-3-9-15-19-14-8-2-5-11-17/h16-17H,1-15H2
InChIKeyQGWGDOZNOLUNCW-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.76
Rot. Bonds16

About 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol

5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol (PubChem CID 101478203) has the molecular formula C15H32O2SSe and a molecular weight of 355.45 g/mol. Its IUPAC name is 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
PubChem CID101478203
Molecular FormulaC15H32O2SSe
Molecular Weight355.45 g/mol
Exact Mass356.13
IUPAC Name5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
SMILESOCCCCCSCCCCC[Se]CCCCCO
InChIInChI=1S/C15H32O2SSe/c16-10-4-1-6-12-18-13-7-3-9-15-19-14-8-2-5-11-17/h16-17H,1-15H2
InChIKeyQGWGDOZNOLUNCW-UHFFFAOYSA-N
XLogP3.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Hydroxy-butyl sulfide
CID 14717696
6-(2-Hydroxyethylsulfanyl)hexan-1-ol
CID 19065813
1-(1-Hydroxypentylsulfanyl)pentan-1-ol
CID 19078211
6-(6-Hydroxyhexylsulfanyl)hexan-1-ol
CID 20149007
5-[5-(5-Hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol
CID 21133544
5-(5-Hydroxypentylsulfanyl)pentan-1-ol
CID 34179188
4-(5-Hydroxypentan-2-ylsulfanyl)pentan-1-ol
CID 53958956
5-Butan-2-ylsulfanylpentan-1-ol
CID 54245199
5-Propylsulfanylpentan-1-ol
CID 54250597
5-Propan-2-ylsulfanylpentan-1-ol
CID 54312886
5-Butylsulfanylpentan-1-ol
CID 54395355
1-Propan-2-ylsulfanylpentan-1-ol
CID 56983224

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol?
The IUPAC name of 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol (CID 101478203) is 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol?
The canonical SMILES for 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol is OCCCCCSCCCCC[Se]CCCCCO.
What is the InChIKey of 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol?
The InChIKey is QGWGDOZNOLUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2SSe/c16-10-4-1-6-12-18-13-7-3-9-15-19-14-8-2-5-11-17/h16-17H,1-15H2.
What are the key properties of 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol?
5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol has a molecular weight of 355.45 g/mol, XLogP of 3.76, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol is sourced from PubChem (CID 101478203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).