5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione

C6H6O6 — CID 154679095

IUPAC5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione
SMILESCCC1OC(=O)OC12OC(=O)O2
InChIInChI=1S/C6H6O6/c1-2-3-6(10-4(7)9-3)11-5(8)12-6/h3H,2H2,1H3
InChIKeyRMLFJJRXYMFIQQ-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.75
Rot. Bonds1

About 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione

5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione (PubChem CID 154679095) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione.

Molecular Properties

Compound Name5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione
PubChem CID154679095
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione
SMILESCCC1OC(=O)OC12OC(=O)O2
InChIInChI=1S/C6H6O6/c1-2-3-6(10-4(7)9-3)11-5(8)12-6/h3H,2H2,1H3
InChIKeyRMLFJJRXYMFIQQ-UHFFFAOYSA-N
XLogP0.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione 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

4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one
CID 161112908
(3S,4S,5R)-5-ethyl-3,4-dihydroxy-4-methyloxolan-2-one
CID 130875371
(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one
CID 89206790
4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one
CID 71114989
6-ethyl-5-hydroxy-5-(trifluoromethyl)-1,4-dioxane-2,3-dione
CID 140973456
3-ethyloxiran-2-one
CID 21297762
4-ethenyl-4,5-dimethyl-1,3-dioxolan-2-one
CID 66865740
(4R)-4-ethyloxetan-2-one
CID 14325240
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one
CID 20743815
5-ethyl-3-methyloxolane-2,4-dione
CID 77476558
2-ethyl-3-methyl-4-oxo-2H-chromene-3-carboxylic acid
CID 68674193

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione?
The IUPAC name of 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione (CID 154679095) is 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione.
What is the SMILES notation for 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione?
The canonical SMILES for 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione is CCC1OC(=O)OC12OC(=O)O2.
What is the InChIKey of 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione?
The InChIKey is RMLFJJRXYMFIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6/c1-2-3-6(10-4(7)9-3)11-5(8)12-6/h3H,2H2,1H3.
What are the key properties of 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione?
5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione has a molecular weight of 174.11 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione is sourced from PubChem (CID 154679095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).