11-(decyldisulfanyl)undecan-1-ol

C21H44OS2 — CID 102160714

IUPAC11-(decyldisulfanyl)undecan-1-ol
SMILESCCCCCCCCCCSSCCCCCCCCCCCO
InChIInChI=1S/C21H44OS2/c1-2-3-4-5-6-11-14-17-20-23-24-21-18-15-12-9-7-8-10-13-16-19-22/h22H,2-21H2,1H3
InChIKeyIDNZTHKYIQHLSF-UHFFFAOYSA-N
MW376.72 g/mol
LogP8.01
Rot. Bonds21

About 11-(decyldisulfanyl)undecan-1-ol

11-(decyldisulfanyl)undecan-1-ol (PubChem CID 102160714) has the molecular formula C21H44OS2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 11-(decyldisulfanyl)undecan-1-ol.

Molecular Properties

Compound Name11-(decyldisulfanyl)undecan-1-ol
PubChem CID102160714
Molecular FormulaC21H44OS2
Molecular Weight376.72 g/mol
Exact Mass376.28
IUPAC Name11-(decyldisulfanyl)undecan-1-ol
SMILESCCCCCCCCCCSSCCCCCCCCCCCO
InChIInChI=1S/C21H44OS2/c1-2-3-4-5-6-11-14-17-20-23-24-21-18-15-12-9-7-8-10-13-16-19-22/h22H,2-21H2,1H3
InChIKeyIDNZTHKYIQHLSF-UHFFFAOYSA-N
XLogP8.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.72
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
CID 131878919
CID 131878919
8-pentylsulfanyloctan-1-ol
CID 86658436
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of 11-(decyldisulfanyl)undecan-1-ol?
The IUPAC name of 11-(decyldisulfanyl)undecan-1-ol (CID 102160714) is 11-(decyldisulfanyl)undecan-1-ol.
What is the SMILES notation for 11-(decyldisulfanyl)undecan-1-ol?
The canonical SMILES for 11-(decyldisulfanyl)undecan-1-ol is CCCCCCCCCCSSCCCCCCCCCCCO.
What is the InChIKey of 11-(decyldisulfanyl)undecan-1-ol?
The InChIKey is IDNZTHKYIQHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44OS2/c1-2-3-4-5-6-11-14-17-20-23-24-21-18-15-12-9-7-8-10-13-16-19-22/h22H,2-21H2,1H3.
What are the key properties of 11-(decyldisulfanyl)undecan-1-ol?
11-(decyldisulfanyl)undecan-1-ol has a molecular weight of 376.72 g/mol, XLogP of 8.01, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(decyldisulfanyl)undecan-1-ol is sourced from PubChem (CID 102160714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).