2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane

C15H30O2S — CID 59460158

IUPAC2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane
SMILESCC(OCCSC(C)C)OCCC1CCCCC1
InChIInChI=1S/C15H30O2S/c1-13(2)18-12-11-17-14(3)16-10-9-15-7-5-4-6-8-15/h13-15H,4-12H2,1-3H3
InChIKeyPPKURSQMGBQRLT-UHFFFAOYSA-N
MW274.47 g/mol
LogP4.48
Rot. Bonds9

About 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane

2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane (PubChem CID 59460158) has the molecular formula C15H30O2S and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane
PubChem CID59460158
Molecular FormulaC15H30O2S
Molecular Weight274.47 g/mol
Exact Mass274.20
IUPAC Name2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane
SMILESCC(OCCSC(C)C)OCCC1CCCCC1
InChIInChI=1S/C15H30O2S/c1-13(2)18-12-11-17-14(3)16-10-9-15-7-5-4-6-8-15/h13-15H,4-12H2,1-3H3
InChIKeyPPKURSQMGBQRLT-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane?
The IUPAC name of 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane (CID 59460158) is 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane.
What is the SMILES notation for 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane?
The canonical SMILES for 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane is CC(OCCSC(C)C)OCCC1CCCCC1.
What is the InChIKey of 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane?
The InChIKey is PPKURSQMGBQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2S/c1-13(2)18-12-11-17-14(3)16-10-9-15-7-5-4-6-8-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane?
2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane has a molecular weight of 274.47 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane is sourced from PubChem (CID 59460158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).