6-(5-hydroxypentylsulfanyl)hexanoic acid

C11H22O3S — CID 57108530

IUPAC6-(5-hydroxypentylsulfanyl)hexanoic acid
SMILESO=C(O)CCCCCSCCCCCO
InChIInChI=1S/C11H22O3S/c12-8-4-2-6-10-15-9-5-1-3-7-11(13)14/h12H,1-10H2,(H,13,14)
InChIKeyCWYNVLIWWRHELO-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.53
Rot. Bonds11

About 6-(5-hydroxypentylsulfanyl)hexanoic acid

6-(5-hydroxypentylsulfanyl)hexanoic acid (PubChem CID 57108530) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 6-(5-hydroxypentylsulfanyl)hexanoic acid.

Molecular Properties

Compound Name6-(5-hydroxypentylsulfanyl)hexanoic acid
PubChem CID57108530
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name6-(5-hydroxypentylsulfanyl)hexanoic acid
SMILESO=C(O)CCCCCSCCCCCO
InChIInChI=1S/C11H22O3S/c12-8-4-2-6-10-15-9-5-1-3-7-11(13)14/h12H,1-10H2,(H,13,14)
InChIKeyCWYNVLIWWRHELO-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5-hydroxypentylsulfanyl)hexanoic acid 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

8-(6-hydroxyhexylsulfanyl)octanoic acid
CID 122401769
6-(5-carboxypentylsulfanyl)hexanoic acid
CID 11108146
10-(9-carboxynonylsulfanyl)decanoic acid
CID 22572392
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxypentylsulfanyl)hexanoic acid?
The IUPAC name of 6-(5-hydroxypentylsulfanyl)hexanoic acid (CID 57108530) is 6-(5-hydroxypentylsulfanyl)hexanoic acid.
What is the SMILES notation for 6-(5-hydroxypentylsulfanyl)hexanoic acid?
The canonical SMILES for 6-(5-hydroxypentylsulfanyl)hexanoic acid is O=C(O)CCCCCSCCCCCO.
What is the InChIKey of 6-(5-hydroxypentylsulfanyl)hexanoic acid?
The InChIKey is CWYNVLIWWRHELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c12-8-4-2-6-10-15-9-5-1-3-7-11(13)14/h12H,1-10H2,(H,13,14).
What are the key properties of 6-(5-hydroxypentylsulfanyl)hexanoic acid?
6-(5-hydroxypentylsulfanyl)hexanoic acid has a molecular weight of 234.36 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxypentylsulfanyl)hexanoic acid is sourced from PubChem (CID 57108530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).