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

C15H32O2S2 — CID 21133544

IUPAC5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol
SMILESOCCCCCSCCCCCSCCCCCO
InChIInChI=1S/C15H32O2S2/c16-10-4-1-6-12-18-14-8-3-9-15-19-13-7-2-5-11-17/h16-17H,1-15H2
InChIKeyMIOZLUWATIQCMZ-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.95
Rot. Bonds16

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

5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol (PubChem CID 21133544) has the molecular formula C15H32O2S2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol
PubChem CID21133544
Molecular FormulaC15H32O2S2
Molecular Weight308.55 g/mol
Exact Mass308.18
IUPAC Name5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol
SMILESOCCCCCSCCCCCSCCCCCO
InChIInChI=1S/C15H32O2S2/c16-10-4-1-6-12-18-14-8-3-9-15-19-13-7-2-5-11-17/h16-17H,1-15H2
InChIKeyMIOZLUWATIQCMZ-UHFFFAOYSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol 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

2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
1,3-Dithiane-2-butanol
CID 12233632
2,2'-(Hexane-1,6-diylbis(thio))bisethanol
CID 79440
1-Propanol, 3,3'-[1,2-ethanediylbis(thio)]bis-
CID 548322
Hydroxy-butyl sulfide
CID 14717696
3-((4-((3-Hydroxypropyl)thio)butyl)thio)-1-propanol
CID 373737
1-Butanol, 4-((3-hydroxypropyl)thio)-
CID 548412
1-Pentanol, 5-(ethylthio)-
CID 554416
3-[3-(3-Hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol
CID 12513960
5,5-Bis(butylsulfanyl)pentan-1-ol
CID 14295908
S-(1-ethylsulfanyl-5-hydroxypentyl) ethanethioate
CID 15557890

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol?
The IUPAC name of 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol (CID 21133544) is 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol?
The canonical SMILES for 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol is OCCCCCSCCCCCSCCCCCO.
What is the InChIKey of 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol?
The InChIKey is MIOZLUWATIQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2S2/c16-10-4-1-6-12-18-14-8-3-9-15-19-13-7-2-5-11-17/h16-17H,1-15H2.
What are the key properties of 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol?
5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol has a molecular weight of 308.55 g/mol, XLogP of 3.95, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-hydroxypentylsulfanyl)pentylsulfanyl]pentan-1-ol is sourced from PubChem (CID 21133544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).