1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane

C12H24O2S4 — CID 12872707

IUPAC1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane
SMILESC1COCCSCCSCCSCCSCCO1
InChIInChI=1S/C12H24O2S4/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h1-12H2
InChIKeyUMJGBNZDFSKWRZ-UHFFFAOYSA-N
MW328.59 g/mol
LogP2.97
Rot. Bonds

About 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane

1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane (PubChem CID 12872707) has the molecular formula C12H24O2S4 and a molecular weight of 328.59 g/mol. Its IUPAC name is 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane.

Molecular Properties

Compound Name1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane
PubChem CID12872707
Molecular FormulaC12H24O2S4
Molecular Weight328.59 g/mol
Exact Mass328.07
IUPAC Name1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane
SMILESC1COCCSCCSCCSCCSCCO1
InChIInChI=1S/C12H24O2S4/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h1-12H2
InChIKeyUMJGBNZDFSKWRZ-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane
CID 67527
1,4-Dioxa-7,10-dithiacyclododecane
CID 181662
1,10-Dioxa-4,7,13,16-tetrathiacyclooctadecane
CID 520443
1,7-Dioxa-4,10-dithiacyclododecane
CID 520439
1-Oxa-4,7,10-trithiacyclododecane
CID 528227
3,18-Dioxa-6,9,12,15-tetrathiaicosane
CID 5171446
1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane
CID 5250405
1,4,7-Trioxa-10,13-dithiacyclopentadecane
CID 12029889
1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane
CID 12661566
1,7,13-Trioxa-4,10,16-trithiacyclooctadecane
CID 20134732
1,6,9-Trioxa-3,12-dithiacyclotridecane
CID 129751682
1,4,7,13,16,19-Hexaoxa-10,22-dithiacyclotetracosane
CID 520450

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane?
The IUPAC name of 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane (CID 12872707) is 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane.
What is the SMILES notation for 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane?
The canonical SMILES for 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane is C1COCCSCCSCCSCCSCCO1.
What is the InChIKey of 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane?
The InChIKey is UMJGBNZDFSKWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S4/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h1-12H2.
What are the key properties of 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane?
1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane has a molecular weight of 328.59 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,10,13,16-tetrathiacyclooctadecane is sourced from PubChem (CID 12872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).