4-hexyl-2,4,6-trimethylthiopyran

C14H24S — CID 123237129

IUPAC4-hexyl-2,4,6-trimethylthiopyran
SMILESCCCCCCC1(C)C=C(C)SC(C)=C1
InChIInChI=1S/C14H24S/c1-5-6-7-8-9-14(4)10-12(2)15-13(3)11-14/h10-11H,5-9H2,1-4H3
InChIKeyNOMUGLXIPNLMGG-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.52
Rot. Bonds5

About 4-hexyl-2,4,6-trimethylthiopyran

4-hexyl-2,4,6-trimethylthiopyran (PubChem CID 123237129) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 4-hexyl-2,4,6-trimethylthiopyran.

Molecular Properties

Compound Name4-hexyl-2,4,6-trimethylthiopyran
PubChem CID123237129
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name4-hexyl-2,4,6-trimethylthiopyran
SMILESCCCCCCC1(C)C=C(C)SC(C)=C1
InChIInChI=1S/C14H24S/c1-5-6-7-8-9-14(4)10-12(2)15-13(3)11-14/h10-11H,5-9H2,1-4H3
InChIKeyNOMUGLXIPNLMGG-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-2,4,6-trimethyl-1H-pyridine
CID 101151039
2-methyl-2-octylthieno[3,4-d][1,3]dioxole
CID 141058651
heptane;zirconium
CID 159449678
5-hexyl-3,5-dimethylfuran-2-one
CID 11106283
(5R)-5-hexyl-4,5-dimethylthiophen-2-one
CID 59131231
2-decyl-2,3,4-trimethyl-5-methylidenethiophene
CID 142075084
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,4,6-trimethylthiopyran?
The IUPAC name of 4-hexyl-2,4,6-trimethylthiopyran (CID 123237129) is 4-hexyl-2,4,6-trimethylthiopyran.
What is the SMILES notation for 4-hexyl-2,4,6-trimethylthiopyran?
The canonical SMILES for 4-hexyl-2,4,6-trimethylthiopyran is CCCCCCC1(C)C=C(C)SC(C)=C1.
What is the InChIKey of 4-hexyl-2,4,6-trimethylthiopyran?
The InChIKey is NOMUGLXIPNLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-5-6-7-8-9-14(4)10-12(2)15-13(3)11-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-hexyl-2,4,6-trimethylthiopyran?
4-hexyl-2,4,6-trimethylthiopyran has a molecular weight of 224.41 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,4,6-trimethylthiopyran is sourced from PubChem (CID 123237129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).