3-ethyl-1,4-dioxaspiro[4.4]nonane

C9H16O2 — CID 20802298

IUPAC3-ethyl-1,4-dioxaspiro[4.4]nonane
SMILESCCC1COC2(CCCC2)O1
InChIInChI=1S/C9H16O2/c1-2-8-7-10-9(11-8)5-3-4-6-9/h8H,2-7H2,1H3
InChIKeyPXWCGOFPGZQSEJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.08
Rot. Bonds1

About 3-ethyl-1,4-dioxaspiro[4.4]nonane

3-ethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 20802298) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID20802298
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-1,4-dioxaspiro[4.4]nonane
SMILESCCC1COC2(CCCC2)O1
InChIInChI=1S/C9H16O2/c1-2-8-7-10-9(11-8)5-3-4-6-9/h8H,2-7H2,1H3
InChIKeyPXWCGOFPGZQSEJ-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1,4-dioxaspiro[4.4]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 3-ethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 3-ethyl-1,4-dioxaspiro[4.4]nonane (CID 20802298) is 3-ethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 3-ethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 3-ethyl-1,4-dioxaspiro[4.4]nonane is CCC1COC2(CCCC2)O1.
What is the InChIKey of 3-ethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is PXWCGOFPGZQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-7-10-9(11-8)5-3-4-6-9/h8H,2-7H2,1H3.
What are the key properties of 3-ethyl-1,4-dioxaspiro[4.4]nonane?
3-ethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 156.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 20802298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).