1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol

C11H22O4S2 — CID 101420408

IUPAC1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol
SMILESOC1CSCCOCCOCCOCCSC1
InChIInChI=1S/C11H22O4S2/c12-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-11/h11-12H,1-10H2
InChIKeySDAAEBRGVSCKNK-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.88
Rot. Bonds

About 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol

1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol (PubChem CID 101420408) has the molecular formula C11H22O4S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol.

Molecular Properties

Compound Name1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol
PubChem CID101420408
Molecular FormulaC11H22O4S2
Molecular Weight282.43 g/mol
Exact Mass282.10
IUPAC Name1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol
SMILESOC1CSCCOCCOCCOCCSC1
InChIInChI=1S/C11H22O4S2/c12-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-11/h11-12H,1-10H2
InChIKeySDAAEBRGVSCKNK-UHFFFAOYSA-N
XLogP0.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol?
The IUPAC name of 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol (CID 101420408) is 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol.
What is the SMILES notation for 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol?
The canonical SMILES for 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol is OC1CSCCOCCOCCOCCSC1.
What is the InChIKey of 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol?
The InChIKey is SDAAEBRGVSCKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S2/c12-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-11/h11-12H,1-10H2.
What are the key properties of 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol?
1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol has a molecular weight of 282.43 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trioxa-10,14-dithiacyclohexadecan-12-ol is sourced from PubChem (CID 101420408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).