8-pentylsulfanyloctan-1-ol

C13H28OS — CID 86658436

IUPAC8-pentylsulfanyloctan-1-ol
SMILESCCCCCSCCCCCCCCO
InChIInChI=1S/C13H28OS/c1-2-3-9-12-15-13-10-7-5-4-6-8-11-14/h14H,2-13H2,1H3
InChIKeyZOPILPRWRJHTOW-UHFFFAOYSA-N
MW232.43 g/mol
LogP4.24
Rot. Bonds12

About 8-pentylsulfanyloctan-1-ol

8-pentylsulfanyloctan-1-ol (PubChem CID 86658436) has the molecular formula C13H28OS and a molecular weight of 232.43 g/mol. Its IUPAC name is 8-pentylsulfanyloctan-1-ol.

Molecular Properties

Compound Name8-pentylsulfanyloctan-1-ol
PubChem CID86658436
Molecular FormulaC13H28OS
Molecular Weight232.43 g/mol
Exact Mass232.19
IUPAC Name8-pentylsulfanyloctan-1-ol
SMILESCCCCCSCCCCCCCCO
InChIInChI=1S/C13H28OS/c1-2-3-9-12-15-13-10-7-5-4-6-8-11-14/h14H,2-13H2,1H3
InChIKeyZOPILPRWRJHTOW-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(pentylsulfanylmethylsulfanyl)decan-1-ol
CID 170383574
2-pentadecylsulfanylethanol
CID 13120338
1-tetracosylsulfanyloctacosane
CID 87077758
1-octadecylsulfanyloctacosane
CID 87077538
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of 8-pentylsulfanyloctan-1-ol?
The IUPAC name of 8-pentylsulfanyloctan-1-ol (CID 86658436) is 8-pentylsulfanyloctan-1-ol.
What is the SMILES notation for 8-pentylsulfanyloctan-1-ol?
The canonical SMILES for 8-pentylsulfanyloctan-1-ol is CCCCCSCCCCCCCCO.
What is the InChIKey of 8-pentylsulfanyloctan-1-ol?
The InChIKey is ZOPILPRWRJHTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OS/c1-2-3-9-12-15-13-10-7-5-4-6-8-11-14/h14H,2-13H2,1H3.
What are the key properties of 8-pentylsulfanyloctan-1-ol?
8-pentylsulfanyloctan-1-ol has a molecular weight of 232.43 g/mol, XLogP of 4.24, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentylsulfanyloctan-1-ol is sourced from PubChem (CID 86658436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).