7-ethyl-2,5,9-trioxaspiro[3.5]nonane

C8H14O3 — CID 89076501

IUPAC7-ethyl-2,5,9-trioxaspiro[3.5]nonane
SMILESCCC1COC2(COC2)OC1
InChIInChI=1S/C8H14O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h7H,2-6H2,1H3
InChIKeyDRTQWNTXTOWEMJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds1

About 7-ethyl-2,5,9-trioxaspiro[3.5]nonane

7-ethyl-2,5,9-trioxaspiro[3.5]nonane (PubChem CID 89076501) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-ethyl-2,5,9-trioxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-2,5,9-trioxaspiro[3.5]nonane
PubChem CID89076501
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name7-ethyl-2,5,9-trioxaspiro[3.5]nonane
SMILESCCC1COC2(COC2)OC1
InChIInChI=1S/C8H14O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h7H,2-6H2,1H3
InChIKeyDRTQWNTXTOWEMJ-UHFFFAOYSA-N
XLogP0.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-2,5,9-trioxaspiro[3.5]nonane with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Dioxane, 5-ethyl-2,2-dimethyl-
CID 537477
(Ethoxymethyl)-2,5-dimethyl-m-dioxane
CID 129806790
2-Ethoxy-2-methyl-3-(2-methylpropoxy)oxetane
CID 22918790
2-Methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane
CID 57144804
2,5-Diethyl-2-methyl-1,3-dioxane
CID 57831638
CID 58720387
CID 58720387
CID 59268993
CID 59268993
CID 59269021
CID 59269021
CID 59269055
CID 59269055
CID 59269174
CID 59269174
CID 59269208
CID 59269208
CID 59269267
CID 59269267

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane (CID 89076501) is 7-ethyl-2,5,9-trioxaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-2,5,9-trioxaspiro[3.5]nonane is CCC1COC2(COC2)OC1.
What is the InChIKey of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
The InChIKey is DRTQWNTXTOWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h7H,2-6H2,1H3.
What are the key properties of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
7-ethyl-2,5,9-trioxaspiro[3.5]nonane has a molecular weight of 158.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5,9-trioxaspiro[3.5]nonane is sourced from PubChem (CID 89076501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).