6-(tetradecyldisulfanyl)hexan-1-ol

C20H42OS2 — CID 172554723

IUPAC6-(tetradecyldisulfanyl)hexan-1-ol
SMILESCCCCCCCCCCCCCCSSCCCCCCO
InChIInChI=1S/C20H42OS2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-23-20-17-14-12-15-18-21/h21H,2-20H2,1H3
InChIKeyQNYYBTJRMLOSKL-UHFFFAOYSA-N
MW362.69 g/mol
LogP7.62
Rot. Bonds20

About 6-(tetradecyldisulfanyl)hexan-1-ol

6-(tetradecyldisulfanyl)hexan-1-ol (PubChem CID 172554723) has the molecular formula C20H42OS2 and a molecular weight of 362.69 g/mol. Its IUPAC name is 6-(tetradecyldisulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(tetradecyldisulfanyl)hexan-1-ol
PubChem CID172554723
Molecular FormulaC20H42OS2
Molecular Weight362.69 g/mol
Exact Mass362.27
IUPAC Name6-(tetradecyldisulfanyl)hexan-1-ol
SMILESCCCCCCCCCCCCCCSSCCCCCCO
InChIInChI=1S/C20H42OS2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-23-20-17-14-12-15-18-21/h21H,2-20H2,1H3
InChIKeyQNYYBTJRMLOSKL-UHFFFAOYSA-N
XLogP7.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 57.62
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

11-(decyldisulfanyl)undecan-1-ol
CID 102160714
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;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
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

Frequently Asked Questions

What is the IUPAC name of 6-(tetradecyldisulfanyl)hexan-1-ol?
The IUPAC name of 6-(tetradecyldisulfanyl)hexan-1-ol (CID 172554723) is 6-(tetradecyldisulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(tetradecyldisulfanyl)hexan-1-ol?
The canonical SMILES for 6-(tetradecyldisulfanyl)hexan-1-ol is CCCCCCCCCCCCCCSSCCCCCCO.
What is the InChIKey of 6-(tetradecyldisulfanyl)hexan-1-ol?
The InChIKey is QNYYBTJRMLOSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42OS2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-23-20-17-14-12-15-18-21/h21H,2-20H2,1H3.
What are the key properties of 6-(tetradecyldisulfanyl)hexan-1-ol?
6-(tetradecyldisulfanyl)hexan-1-ol has a molecular weight of 362.69 g/mol, XLogP of 7.62, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tetradecyldisulfanyl)hexan-1-ol is sourced from PubChem (CID 172554723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).