2,2-diethoxyethylsulfanylcyclopentane

C11H22O2S — CID 63630441

IUPAC2,2-diethoxyethylsulfanylcyclopentane
SMILESCCOC(CSC1CCCC1)OCC
InChIInChI=1S/C11H22O2S/c1-3-12-11(13-4-2)9-14-10-7-5-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyUPUNHVCIJXPOEV-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.06
Rot. Bonds7

About 2,2-diethoxyethylsulfanylcyclopentane

2,2-diethoxyethylsulfanylcyclopentane (PubChem CID 63630441) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2,2-diethoxyethylsulfanylcyclopentane.

Molecular Properties

Compound Name2,2-diethoxyethylsulfanylcyclopentane
PubChem CID63630441
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name2,2-diethoxyethylsulfanylcyclopentane
SMILESCCOC(CSC1CCCC1)OCC
InChIInChI=1S/C11H22O2S/c1-3-12-11(13-4-2)9-14-10-7-5-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyUPUNHVCIJXPOEV-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methional diethyl acetal
CID 85521
1,1-Diethoxy-2-(propan-2-ylsulfanyl)ethane
CID 14974110
2,4,6-Triethyl-[1,3,5]dioxathiane, stereoisomer 1
CID 91750809
2-(2,2-Diethoxyethylsulfanyl)-2-methylpropane
CID 10998208
1-(2,2-Diethoxyethylsulfanyl)propane
CID 12356801
1-(2,2-Diethoxyethylsulfanyl)hexane
CID 12356804
1-(2,2-Diethoxyethylsulfanyl)butane
CID 12726339
1,1-Diethoxy-2-ethylthioethane
CID 12726338
1,1-Diethoxy-4-methylsulfanylbutane
CID 20258772
1-[3-(1-Methoxyethoxy)propylsulfanyl]butane
CID 20729021
1-[3-(1-Methoxyethoxy)propylsulfinyl]butane
CID 20729023
2-(1-Methoxyethoxy)ethylsulfanylcyclohexane
CID 20729105

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethylsulfanylcyclopentane?
The IUPAC name of 2,2-diethoxyethylsulfanylcyclopentane (CID 63630441) is 2,2-diethoxyethylsulfanylcyclopentane.
What is the SMILES notation for 2,2-diethoxyethylsulfanylcyclopentane?
The canonical SMILES for 2,2-diethoxyethylsulfanylcyclopentane is CCOC(CSC1CCCC1)OCC.
What is the InChIKey of 2,2-diethoxyethylsulfanylcyclopentane?
The InChIKey is UPUNHVCIJXPOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-3-12-11(13-4-2)9-14-10-7-5-6-8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2-diethoxyethylsulfanylcyclopentane?
2,2-diethoxyethylsulfanylcyclopentane has a molecular weight of 218.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethylsulfanylcyclopentane is sourced from PubChem (CID 63630441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).