1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane

C11H20S — CID 155019957

IUPAC1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane
SMILESCCC12CCC(SC)(CC1)CC2
InChIInChI=1S/C11H20S/c1-3-10-4-7-11(12-2,8-5-10)9-6-10/h3-9H2,1-2H3
InChIKeyMNZJRRCZBQZNOI-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.85
Rot. Bonds2

About 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane

1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane (PubChem CID 155019957) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane
PubChem CID155019957
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane
SMILESCCC12CCC(SC)(CC1)CC2
InChIInChI=1S/C11H20S/c1-3-10-4-7-11(12-2,8-5-10)9-6-10/h3-9H2,1-2H3
InChIKeyMNZJRRCZBQZNOI-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane (CID 155019957) is 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane is CCC12CCC(SC)(CC1)CC2.
What is the InChIKey of 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane?
The InChIKey is MNZJRRCZBQZNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-10-4-7-11(12-2,8-5-10)9-6-10/h3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane?
1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane has a molecular weight of 184.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylbicyclo[2.2.2]octane is sourced from PubChem (CID 155019957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).