1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane

C16H32O6S2 — CID 520450

IUPAC1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
SMILESC1COCCSCCOCCOCCOCCSCCOCCO1
InChIInChI=1S/C16H32O6S2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h1-16H2
InChIKeyVBWOPQXSPKWFGR-UHFFFAOYSA-N
MW384.56 g/mol
LogP1.57
Rot. Bonds

About 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane

1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane (PubChem CID 520450) has the molecular formula C16H32O6S2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane.

Molecular Properties

Compound Name1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
PubChem CID520450
Molecular FormulaC16H32O6S2
Molecular Weight384.56 g/mol
Exact Mass384.16
IUPAC Name1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
SMILESC1COCCSCCOCCOCCOCCSCCOCCO1
InChIInChI=1S/C16H32O6S2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h1-16H2
InChIKeyVBWOPQXSPKWFGR-UHFFFAOYSA-N
XLogP1.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane
CID 67527
1,4-Dioxa-7,10-dithiacyclododecane
CID 181662
5,8,20,23-Tetraoxa-11,14,17-trithiaheptacosane
CID 3325241
1-(2-Butoxyethoxy)-2-[2-(2-butoxyethoxy)ethylthio]ethane
CID 3842832
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
1,6,9-Trioxa-3,12-dithiacyclotridecane
CID 129751682
1,4,7,10-Tetraoxa-13,17-dithiacyclononadecane
CID 12250836
1,4,7,10,13-Pentaoxa-16,19-dithiacyclohenicosane
CID 12250839
1,4,7,10-Tetrathia-18-crown-6
CID 12872707
1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane, 7,16-dioxide
CID 2829872

Frequently Asked Questions

What is the IUPAC name of 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane?
The IUPAC name of 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane (CID 520450) is 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane.
What is the SMILES notation for 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane?
The canonical SMILES for 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane is C1COCCSCCOCCOCCOCCSCCOCCO1.
What is the InChIKey of 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane?
The InChIKey is VBWOPQXSPKWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6S2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h1-16H2.
What are the key properties of 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane?
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane has a molecular weight of 384.56 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane is sourced from PubChem (CID 520450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).