1-ethyl-9-oxabicyclo[3.3.1]nonane

C10H18O — CID 89094230

IUPAC1-ethyl-9-oxabicyclo[3.3.1]nonane
SMILESCCC12CCCC(CCC1)O2
InChIInChI=1S/C10H18O/c1-2-10-7-3-5-9(11-10)6-4-8-10/h9H,2-8H2,1H3
InChIKeyJOMIHSHMFYYWHI-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.89
Rot. Bonds1

About 1-ethyl-9-oxabicyclo[3.3.1]nonane

1-ethyl-9-oxabicyclo[3.3.1]nonane (PubChem CID 89094230) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethyl-9-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-ethyl-9-oxabicyclo[3.3.1]nonane
PubChem CID89094230
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethyl-9-oxabicyclo[3.3.1]nonane
SMILESCCC12CCCC(CCC1)O2
InChIInChI=1S/C10H18O/c1-2-10-7-3-5-9(11-10)6-4-8-10/h9H,2-8H2,1H3
InChIKeyJOMIHSHMFYYWHI-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-9-oxabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-oxabicyclo[3.3.1]nonane?
The IUPAC name of 1-ethyl-9-oxabicyclo[3.3.1]nonane (CID 89094230) is 1-ethyl-9-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 1-ethyl-9-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 1-ethyl-9-oxabicyclo[3.3.1]nonane is CCC12CCCC(CCC1)O2.
What is the InChIKey of 1-ethyl-9-oxabicyclo[3.3.1]nonane?
The InChIKey is JOMIHSHMFYYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-10-7-3-5-9(11-10)6-4-8-10/h9H,2-8H2,1H3.
What are the key properties of 1-ethyl-9-oxabicyclo[3.3.1]nonane?
1-ethyl-9-oxabicyclo[3.3.1]nonane has a molecular weight of 154.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 89094230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).