1-ethoxy-3-methylsulfanylcyclopentane

C8H16OS — CID 135369072

IUPAC1-ethoxy-3-methylsulfanylcyclopentane
SMILESCCOC1CCC(SC)C1
InChIInChI=1S/C8H16OS/c1-3-9-7-4-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3
InChIKeyATFQOAFZCLGWTP-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds3

About 1-ethoxy-3-methylsulfanylcyclopentane

1-ethoxy-3-methylsulfanylcyclopentane (PubChem CID 135369072) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-ethoxy-3-methylsulfanylcyclopentane.

Molecular Properties

Compound Name1-ethoxy-3-methylsulfanylcyclopentane
PubChem CID135369072
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-ethoxy-3-methylsulfanylcyclopentane
SMILESCCOC1CCC(SC)C1
InChIInChI=1S/C8H16OS/c1-3-9-7-4-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3
InChIKeyATFQOAFZCLGWTP-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylsulfanylcyclopentane?
The IUPAC name of 1-ethoxy-3-methylsulfanylcyclopentane (CID 135369072) is 1-ethoxy-3-methylsulfanylcyclopentane.
What is the SMILES notation for 1-ethoxy-3-methylsulfanylcyclopentane?
The canonical SMILES for 1-ethoxy-3-methylsulfanylcyclopentane is CCOC1CCC(SC)C1.
What is the InChIKey of 1-ethoxy-3-methylsulfanylcyclopentane?
The InChIKey is ATFQOAFZCLGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-9-7-4-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethoxy-3-methylsulfanylcyclopentane?
1-ethoxy-3-methylsulfanylcyclopentane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylsulfanylcyclopentane is sourced from PubChem (CID 135369072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).