1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide

C12H24O6S2 — CID 2829872

IUPAC1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide
SMILESO=S1CCOCCOCCS(=O)CCOCCOCC1
InChIInChI=1S/C12H24O6S2/c13-19-9-5-15-1-2-16-6-10-20(14)12-8-18-4-3-17-7-11-19/h1-12H2
InChIKeyQGIDSTICJAVZLX-UHFFFAOYSA-N
MW328.45 g/mol
LogP-0.44
Rot. Bonds

About 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide

1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide (PubChem CID 2829872) has the molecular formula C12H24O6S2 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide.

Molecular Properties

Compound Name1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide
PubChem CID2829872
Molecular FormulaC12H24O6S2
Molecular Weight328.45 g/mol
Exact Mass328.10
IUPAC Name1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide
SMILESO=S1CCOCCOCCS(=O)CCOCCOCC1
InChIInChI=1S/C12H24O6S2/c13-19-9-5-15-1-2-16-6-10-20(14)12-8-18-4-3-17-7-11-19/h1-12H2
InChIKeyQGIDSTICJAVZLX-UHFFFAOYSA-N
XLogP-0.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide?
The IUPAC name of 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide (CID 2829872) is 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide.
What is the SMILES notation for 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide?
The canonical SMILES for 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide is O=S1CCOCCOCCS(=O)CCOCCOCC1.
What is the InChIKey of 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide?
The InChIKey is QGIDSTICJAVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6S2/c13-19-9-5-15-1-2-16-6-10-20(14)12-8-18-4-3-17-7-11-19/h1-12H2.
What are the key properties of 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide?
1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide has a molecular weight of 328.45 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10,13-tetraoxa-7lambda4,16lambda4-dithiacyclooctadecane 7,16-dioxide is sourced from PubChem (CID 2829872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).