2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid

C11H20O4 — CID 21351479

IUPAC2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid
SMILESCCC1OC(CC)C(C(=O)O)C1COC
InChIInChI=1S/C11H20O4/c1-4-8-7(6-14-3)10(11(12)13)9(5-2)15-8/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeyFCQWONSOVRZXLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.54
Rot. Bonds5

About 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid

2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid (PubChem CID 21351479) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid
PubChem CID21351479
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid
SMILESCCC1OC(CC)C(C(=O)O)C1COC
InChIInChI=1S/C11H20O4/c1-4-8-7(6-14-3)10(11(12)13)9(5-2)15-8/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeyFCQWONSOVRZXLK-UHFFFAOYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid?
The IUPAC name of 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid (CID 21351479) is 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid is CCC1OC(CC)C(C(=O)O)C1COC.
What is the InChIKey of 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid?
The InChIKey is FCQWONSOVRZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-8-7(6-14-3)10(11(12)13)9(5-2)15-8/h7-10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid?
2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 21351479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).