1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide

C16H32O3S — CID 154094068

IUPAC1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
SMILESO=S1(=O)CCCCCCCCCCCCCCCCO1
InChIInChI=1S/C16H32O3S/c17-20(18)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-20/h1-16H2
InChIKeyGNJHVDXLIYHJKP-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.81
Rot. Bonds

About 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide

1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide (PubChem CID 154094068) has the molecular formula C16H32O3S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide.

Molecular Properties

Compound Name1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
PubChem CID154094068
Molecular FormulaC16H32O3S
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
SMILESO=S1(=O)CCCCCCCCCCCCCCCCO1
InChIInChI=1S/C16H32O3S/c17-20(18)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-20/h1-16H2
InChIKeyGNJHVDXLIYHJKP-UHFFFAOYSA-N
XLogP4.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide?
The IUPAC name of 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide (CID 154094068) is 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide.
What is the SMILES notation for 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide?
The canonical SMILES for 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide is O=S1(=O)CCCCCCCCCCCCCCCCO1.
What is the InChIKey of 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide?
The InChIKey is GNJHVDXLIYHJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3S/c17-20(18)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-20/h1-16H2.
What are the key properties of 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide?
1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide has a molecular weight of 304.50 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide is sourced from PubChem (CID 154094068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).