1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide

C10H20O4S3 — CID 11012039

IUPAC1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide
SMILESO=S1(=O)CCSCCOCCOCCSCC1
InChIInChI=1S/C10H20O4S3/c11-17(12)9-7-15-5-3-13-1-2-14-4-6-16-8-10-17/h1-10H2
InChIKeyOHICCJRJJXHTBR-UHFFFAOYSA-N
MW300.47 g/mol
LogP0.91
Rot. Bonds

About 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide

1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide (PubChem CID 11012039) has the molecular formula C10H20O4S3 and a molecular weight of 300.47 g/mol. Its IUPAC name is 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide.

Molecular Properties

Compound Name1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide
PubChem CID11012039
Molecular FormulaC10H20O4S3
Molecular Weight300.47 g/mol
Exact Mass300.05
IUPAC Name1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide
SMILESO=S1(=O)CCSCCOCCOCCSCC1
InChIInChI=1S/C10H20O4S3/c11-17(12)9-7-15-5-3-13-1-2-14-4-6-16-8-10-17/h1-10H2
InChIKeyOHICCJRJJXHTBR-UHFFFAOYSA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide?
The IUPAC name of 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide (CID 11012039) is 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide.
What is the SMILES notation for 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide?
The canonical SMILES for 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide is O=S1(=O)CCSCCOCCOCCSCC1.
What is the InChIKey of 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide?
The InChIKey is OHICCJRJJXHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S3/c11-17(12)9-7-15-5-3-13-1-2-14-4-6-16-8-10-17/h1-10H2.
What are the key properties of 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide?
1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide has a molecular weight of 300.47 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,10lambda6,13-trithiacyclopentadecane 10,10-dioxide is sourced from PubChem (CID 11012039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).