2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane

C15H28O — CID 53249758

IUPAC2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane
SMILESCCOCC1CC2CC(C(C)C)C1CC2C
InChIInChI=1S/C15H28O/c1-5-16-9-13-7-12-8-14(10(2)3)15(13)6-11(12)4/h10-15H,5-9H2,1-4H3
InChIKeyNGUXECYSEAJIMC-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.98
Rot. Bonds4

About 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane

2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane (PubChem CID 53249758) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane
PubChem CID53249758
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane
SMILESCCOCC1CC2CC(C(C)C)C1CC2C
InChIInChI=1S/C15H28O/c1-5-16-9-13-7-12-8-14(10(2)3)15(13)6-11(12)4/h10-15H,5-9H2,1-4H3
InChIKeyNGUXECYSEAJIMC-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane?
The IUPAC name of 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane (CID 53249758) is 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane.
What is the SMILES notation for 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane?
The canonical SMILES for 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane is CCOCC1CC2CC(C(C)C)C1CC2C.
What is the InChIKey of 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane?
The InChIKey is NGUXECYSEAJIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-16-9-13-7-12-8-14(10(2)3)15(13)6-11(12)4/h10-15H,5-9H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane?
2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane has a molecular weight of 224.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane is sourced from PubChem (CID 53249758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).