15-hexyl-oxacyclopentadecane-2-thione

C20H38OS — CID 134872186

IUPAC15-hexyl-oxacyclopentadecane-2-thione
SMILESCCCCCCC1CCCCCCCCCCCCC(=S)O1
InChIInChI=1S/C20H38OS/c1-2-3-4-13-16-19-17-14-11-9-7-5-6-8-10-12-15-18-20(22)21-19/h19H,2-18H2,1H3
InChIKeyBOTXQPOIYLSBJI-UHFFFAOYSA-N
MW326.59 g/mol
LogP7.36
Rot. Bonds5

About 15-hexyl-oxacyclopentadecane-2-thione

15-hexyl-oxacyclopentadecane-2-thione (PubChem CID 134872186) has the molecular formula C20H38OS and a molecular weight of 326.59 g/mol. Its IUPAC name is 15-hexyl-oxacyclopentadecane-2-thione.

Molecular Properties

Compound Name15-hexyl-oxacyclopentadecane-2-thione
PubChem CID134872186
Molecular FormulaC20H38OS
Molecular Weight326.59 g/mol
Exact Mass326.26
IUPAC Name15-hexyl-oxacyclopentadecane-2-thione
SMILESCCCCCCC1CCCCCCCCCCCCC(=S)O1
InChIInChI=1S/C20H38OS/c1-2-3-4-13-16-19-17-14-11-9-7-5-6-8-10-12-15-18-20(22)21-19/h19H,2-18H2,1H3
InChIKeyBOTXQPOIYLSBJI-UHFFFAOYSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.59
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-hexyl-oxacyclopentadecane-2-thione?
The IUPAC name of 15-hexyl-oxacyclopentadecane-2-thione (CID 134872186) is 15-hexyl-oxacyclopentadecane-2-thione.
What is the SMILES notation for 15-hexyl-oxacyclopentadecane-2-thione?
The canonical SMILES for 15-hexyl-oxacyclopentadecane-2-thione is CCCCCCC1CCCCCCCCCCCCC(=S)O1.
What is the InChIKey of 15-hexyl-oxacyclopentadecane-2-thione?
The InChIKey is BOTXQPOIYLSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OS/c1-2-3-4-13-16-19-17-14-11-9-7-5-6-8-10-12-15-18-20(22)21-19/h19H,2-18H2,1H3.
What are the key properties of 15-hexyl-oxacyclopentadecane-2-thione?
15-hexyl-oxacyclopentadecane-2-thione has a molecular weight of 326.59 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hexyl-oxacyclopentadecane-2-thione is sourced from PubChem (CID 134872186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).