1,4-dioxa-7,11-dithiacyclotridecan-9-ol

C9H18O3S2 — CID 5032840

IUPAC1,4-dioxa-7,11-dithiacyclotridecan-9-ol
SMILESOC1CSCCOCCOCCSC1
InChIInChI=1S/C9H18O3S2/c10-9-7-13-5-3-11-1-2-12-4-6-14-8-9/h9-10H,1-8H2
InChIKeyJZEAJODMCSDRMM-UHFFFAOYSA-N
MW238.37 g/mol
LogP0.86
Rot. Bonds

About 1,4-dioxa-7,11-dithiacyclotridecan-9-ol

1,4-dioxa-7,11-dithiacyclotridecan-9-ol (PubChem CID 5032840) has the molecular formula C9H18O3S2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,4-dioxa-7,11-dithiacyclotridecan-9-ol.

Molecular Properties

Compound Name1,4-dioxa-7,11-dithiacyclotridecan-9-ol
PubChem CID5032840
Molecular FormulaC9H18O3S2
Molecular Weight238.37 g/mol
Exact Mass238.07
IUPAC Name1,4-dioxa-7,11-dithiacyclotridecan-9-ol
SMILESOC1CSCCOCCOCCSC1
InChIInChI=1S/C9H18O3S2/c10-9-7-13-5-3-11-1-2-12-4-6-14-8-9/h9-10H,1-8H2
InChIKeyJZEAJODMCSDRMM-UHFFFAOYSA-N
XLogP0.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CID 373813
1,3-Bis((2-hydroxyethyl)sulfanyl)propan-2-ol
CID 220301
1-(Butylsulfinyl)-3-ethoxy-2-propanol
CID 2842988
2-Propanol, 1,1'-[1,2-ethanediylbis(thio)]bis-
CID 554366
9-(2-Hydroxy-3-((2-hydroxyethyl)thio)propoxy)-7,11-dioxa-3,15-dithiaheptadecane-1,5,13,17-tetrol
CID 108508
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
CID 5748724
2-Propanol, 1-(1-methyl-2-(methylthio)ethoxy)-
CID 5748730
2-Propanol, 1-[1-methyl-2-[1-methyl-2-(methylthio)ethoxy]ethoxy]-
CID 20834287
5,8,11-Trimethyl-4,7,10-trioxa-13-thiatetradecan-2-ol
CID 20834289
2-Propanol, 1-[1-methyl-2-(methylthio)ethoxy]-
CID 20834293
1-((2-Hydroxyethyl)thio)-3-(3-((2-hydroxyethyl)thio)propoxy)propan-2-ol
CID 3019035
1-Ethoxy-3-ethylsulfanylpropan-2-ol
CID 12534150

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,11-dithiacyclotridecan-9-ol?
The IUPAC name of 1,4-dioxa-7,11-dithiacyclotridecan-9-ol (CID 5032840) is 1,4-dioxa-7,11-dithiacyclotridecan-9-ol.
What is the SMILES notation for 1,4-dioxa-7,11-dithiacyclotridecan-9-ol?
The canonical SMILES for 1,4-dioxa-7,11-dithiacyclotridecan-9-ol is OC1CSCCOCCOCCSC1.
What is the InChIKey of 1,4-dioxa-7,11-dithiacyclotridecan-9-ol?
The InChIKey is JZEAJODMCSDRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S2/c10-9-7-13-5-3-11-1-2-12-4-6-14-8-9/h9-10H,1-8H2.
What are the key properties of 1,4-dioxa-7,11-dithiacyclotridecan-9-ol?
1,4-dioxa-7,11-dithiacyclotridecan-9-ol has a molecular weight of 238.37 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,11-dithiacyclotridecan-9-ol is sourced from PubChem (CID 5032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).