1,4,7-trioxa-10,13-dithiacyclopentadecane

C10H20O3S2 — CID 12029889

IUPAC1,4,7-trioxa-10,13-dithiacyclopentadecane
SMILESC1COCCSCCSCCOCCO1
InChIInChI=1S/C10H20O3S2/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h1-10H2
InChIKeyACJFLKMRUKBLTM-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.52
Rot. Bonds

About 1,4,7-trioxa-10,13-dithiacyclopentadecane

1,4,7-trioxa-10,13-dithiacyclopentadecane (PubChem CID 12029889) has the molecular formula C10H20O3S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,4,7-trioxa-10,13-dithiacyclopentadecane.

Molecular Properties

Compound Name1,4,7-trioxa-10,13-dithiacyclopentadecane
PubChem CID12029889
Molecular FormulaC10H20O3S2
Molecular Weight252.40 g/mol
Exact Mass252.09
IUPAC Name1,4,7-trioxa-10,13-dithiacyclopentadecane
SMILESC1COCCSCCSCCOCCO1
InChIInChI=1S/C10H20O3S2/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h1-10H2
InChIKeyACJFLKMRUKBLTM-UHFFFAOYSA-N
XLogP1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trioxa-10,13-dithiacyclopentadecane?
The IUPAC name of 1,4,7-trioxa-10,13-dithiacyclopentadecane (CID 12029889) is 1,4,7-trioxa-10,13-dithiacyclopentadecane.
What is the SMILES notation for 1,4,7-trioxa-10,13-dithiacyclopentadecane?
The canonical SMILES for 1,4,7-trioxa-10,13-dithiacyclopentadecane is C1COCCSCCSCCOCCO1.
What is the InChIKey of 1,4,7-trioxa-10,13-dithiacyclopentadecane?
The InChIKey is ACJFLKMRUKBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S2/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h1-10H2.
What are the key properties of 1,4,7-trioxa-10,13-dithiacyclopentadecane?
1,4,7-trioxa-10,13-dithiacyclopentadecane has a molecular weight of 252.40 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trioxa-10,13-dithiacyclopentadecane is sourced from PubChem (CID 12029889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).