10-(pentylsulfanylmethylsulfanyl)decan-1-ol

C16H34OS2 — CID 170383574

IUPAC10-(pentylsulfanylmethylsulfanyl)decan-1-ol
SMILESCCCCCSCSCCCCCCCCCCO
InChIInChI=1S/C16H34OS2/c1-2-3-11-14-18-16-19-15-12-9-7-5-4-6-8-10-13-17/h17H,2-16H2,1H3
InChIKeyKASSIHXXDKQUKY-UHFFFAOYSA-N
MW306.58 g/mol
LogP5.71
Rot. Bonds16

About 10-(pentylsulfanylmethylsulfanyl)decan-1-ol

10-(pentylsulfanylmethylsulfanyl)decan-1-ol (PubChem CID 170383574) has the molecular formula C16H34OS2 and a molecular weight of 306.58 g/mol. Its IUPAC name is 10-(pentylsulfanylmethylsulfanyl)decan-1-ol.

Molecular Properties

Compound Name10-(pentylsulfanylmethylsulfanyl)decan-1-ol
PubChem CID170383574
Molecular FormulaC16H34OS2
Molecular Weight306.58 g/mol
Exact Mass306.21
IUPAC Name10-(pentylsulfanylmethylsulfanyl)decan-1-ol
SMILESCCCCCSCSCCCCCCCCCCO
InChIInChI=1S/C16H34OS2/c1-2-3-11-14-18-16-19-15-12-9-7-5-4-6-8-10-13-17/h17H,2-16H2,1H3
InChIKeyKASSIHXXDKQUKY-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-pentylsulfanyloctan-1-ol
CID 86658436
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
2-pentadecylsulfanylethanol
CID 13120338
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
octan-1-ol;titanium;trihydrate
CID 87862444
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane;decan-1-ol
CID 22418527

Frequently Asked Questions

What is the IUPAC name of 10-(pentylsulfanylmethylsulfanyl)decan-1-ol?
The IUPAC name of 10-(pentylsulfanylmethylsulfanyl)decan-1-ol (CID 170383574) is 10-(pentylsulfanylmethylsulfanyl)decan-1-ol.
What is the SMILES notation for 10-(pentylsulfanylmethylsulfanyl)decan-1-ol?
The canonical SMILES for 10-(pentylsulfanylmethylsulfanyl)decan-1-ol is CCCCCSCSCCCCCCCCCCO.
What is the InChIKey of 10-(pentylsulfanylmethylsulfanyl)decan-1-ol?
The InChIKey is KASSIHXXDKQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OS2/c1-2-3-11-14-18-16-19-15-12-9-7-5-4-6-8-10-13-17/h17H,2-16H2,1H3.
What are the key properties of 10-(pentylsulfanylmethylsulfanyl)decan-1-ol?
10-(pentylsulfanylmethylsulfanyl)decan-1-ol has a molecular weight of 306.58 g/mol, XLogP of 5.71, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(pentylsulfanylmethylsulfanyl)decan-1-ol is sourced from PubChem (CID 170383574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).