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

C11H22O3S2 — CID 59106277

IUPAC1,7,10-trioxa-4,13-dithiacyclohexadecane
SMILESC1COCCSCCOCCOCCSC1
InChIInChI=1S/C11H22O3S2/c1-2-12-5-10-16-11-7-14-4-3-13-6-9-15-8-1/h1-11H2
InChIKeyWVKJKEYWIXKINX-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.91
Rot. Bonds

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

1,7,10-trioxa-4,13-dithiacyclohexadecane (PubChem CID 59106277) has the molecular formula C11H22O3S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,7,10-trioxa-4,13-dithiacyclohexadecane.

Molecular Properties

Compound Name1,7,10-trioxa-4,13-dithiacyclohexadecane
PubChem CID59106277
Molecular FormulaC11H22O3S2
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC Name1,7,10-trioxa-4,13-dithiacyclohexadecane
SMILESC1COCCSCCOCCOCCSC1
InChIInChI=1S/C11H22O3S2/c1-2-12-5-10-16-11-7-14-4-3-13-6-9-15-8-1/h1-11H2
InChIKeyWVKJKEYWIXKINX-UHFFFAOYSA-N
XLogP1.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7,10-trioxa-4,13-dithiacyclohexadecane?
The IUPAC name of 1,7,10-trioxa-4,13-dithiacyclohexadecane (CID 59106277) is 1,7,10-trioxa-4,13-dithiacyclohexadecane.
What is the SMILES notation for 1,7,10-trioxa-4,13-dithiacyclohexadecane?
The canonical SMILES for 1,7,10-trioxa-4,13-dithiacyclohexadecane is C1COCCSCCOCCOCCSC1.
What is the InChIKey of 1,7,10-trioxa-4,13-dithiacyclohexadecane?
The InChIKey is WVKJKEYWIXKINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S2/c1-2-12-5-10-16-11-7-14-4-3-13-6-9-15-8-1/h1-11H2.
What are the key properties of 1,7,10-trioxa-4,13-dithiacyclohexadecane?
1,7,10-trioxa-4,13-dithiacyclohexadecane has a molecular weight of 266.43 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,10-trioxa-4,13-dithiacyclohexadecane is sourced from PubChem (CID 59106277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).