3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid

C11H20O5 — CID 18343516

IUPAC3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid
SMILESCCC1C(C(=O)O)OC(COC)C(C)C1O
InChIInChI=1S/C11H20O5/c1-4-7-9(12)6(2)8(5-15-3)16-10(7)11(13)14/h6-10,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyXKJHOMIXCNAHFU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.51
Rot. Bonds4

About 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid

3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid (PubChem CID 18343516) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid
PubChem CID18343516
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid
SMILESCCC1C(C(=O)O)OC(COC)C(C)C1O
InChIInChI=1S/C11H20O5/c1-4-7-9(12)6(2)8(5-15-3)16-10(7)11(13)14/h6-10,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyXKJHOMIXCNAHFU-UHFFFAOYSA-N
XLogP0.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid 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-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid (CID 18343516) is 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid is CCC1C(C(=O)O)OC(COC)C(C)C1O.
What is the InChIKey of 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid?
The InChIKey is XKJHOMIXCNAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-7-9(12)6(2)8(5-15-3)16-10(7)11(13)14/h6-10,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid?
3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-6-(methoxymethyl)-5-methyloxane-2-carboxylic acid is sourced from PubChem (CID 18343516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).