2-ethyl-1-methoxybicyclo[2.2.2]octane

C11H20O — CID 13448357

IUPAC2-ethyl-1-methoxybicyclo[2.2.2]octane
SMILESCCC1CC2CCC1(OC)CC2
InChIInChI=1S/C11H20O/c1-3-10-8-9-4-6-11(10,12-2)7-5-9/h9-10H,3-8H2,1-2H3
InChIKeyDWSHXXLUHUKGIB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds2

About 2-ethyl-1-methoxybicyclo[2.2.2]octane

2-ethyl-1-methoxybicyclo[2.2.2]octane (PubChem CID 13448357) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-1-methoxybicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-ethyl-1-methoxybicyclo[2.2.2]octane
PubChem CID13448357
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-1-methoxybicyclo[2.2.2]octane
SMILESCCC1CC2CCC1(OC)CC2
InChIInChI=1S/C11H20O/c1-3-10-8-9-4-6-11(10,12-2)7-5-9/h9-10H,3-8H2,1-2H3
InChIKeyDWSHXXLUHUKGIB-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methoxybicyclo[2.2.2]octane?
The IUPAC name of 2-ethyl-1-methoxybicyclo[2.2.2]octane (CID 13448357) is 2-ethyl-1-methoxybicyclo[2.2.2]octane.
What is the SMILES notation for 2-ethyl-1-methoxybicyclo[2.2.2]octane?
The canonical SMILES for 2-ethyl-1-methoxybicyclo[2.2.2]octane is CCC1CC2CCC1(OC)CC2.
What is the InChIKey of 2-ethyl-1-methoxybicyclo[2.2.2]octane?
The InChIKey is DWSHXXLUHUKGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-10-8-9-4-6-11(10,12-2)7-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-methoxybicyclo[2.2.2]octane?
2-ethyl-1-methoxybicyclo[2.2.2]octane has a molecular weight of 168.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methoxybicyclo[2.2.2]octane is sourced from PubChem (CID 13448357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).