2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane

C13H26O2S — CID 89031073

IUPAC2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane
SMILESCSCCOC(C)OCCC1CCCCC1
InChIInChI=1S/C13H26O2S/c1-12(15-10-11-16-2)14-9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyOJLMDZNFIRWYRI-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.70
Rot. Bonds8

About 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane

2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane (PubChem CID 89031073) has the molecular formula C13H26O2S and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane
PubChem CID89031073
Molecular FormulaC13H26O2S
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane
SMILESCSCCOC(C)OCCC1CCCCC1
InChIInChI=1S/C13H26O2S/c1-12(15-10-11-16-2)14-9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyOJLMDZNFIRWYRI-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,2-Diethoxyethyl)cyclohexane
CID 13163948
Hexahydrophenylazetaldehyd-dipropylazetal
CID 129649245
2-(1-Methoxyethoxy)ethylsulfanylmethylcyclohexane
CID 20729107
2-(1-Methoxyethoxy)ethylcyclohexane
CID 21363344
3-(1-Methoxyethoxy)propylcyclohexane
CID 21363361
1,1-Dimethoxy-7-methylthio-3,7-dimethyloctane
CID 21549356
4-Methyl-1-(2-methylsulfanylethoxymethoxy)hexane
CID 57554101
2-[1-(2-Propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane
CID 59460158
1-Cyclohexyl-2-(1,3,5-trioxan-2-yl)ethanethiol
CID 88154448
1-(2-Cyclohexylethoxy)ethyl 2-methylsulfanylacetate
CID 123663266
1-(2-Cyclohexylethoxymethoxy)ethanethiol
CID 126513824
1,4-Bis[1-(2-methylsulfanylethoxy)propoxymethyl]cyclohexane
CID 134216529

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane?
The IUPAC name of 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane (CID 89031073) is 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane.
What is the SMILES notation for 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane?
The canonical SMILES for 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane is CSCCOC(C)OCCC1CCCCC1.
What is the InChIKey of 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane?
The InChIKey is OJLMDZNFIRWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2S/c1-12(15-10-11-16-2)14-9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane?
2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane has a molecular weight of 246.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfanylethoxy)ethoxy]ethylcyclohexane is sourced from PubChem (CID 89031073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).