3-ethyloxolane-3-carboxylic acid

C7H12O3 — CID 62740785

IUPAC3-ethyloxolane-3-carboxylic acid
SMILESCCC1(C(=O)O)CCOC1
InChIInChI=1S/C7H12O3/c1-2-7(6(8)9)3-4-10-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyWXEHQNAFKAOSFJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds2

About 3-ethyloxolane-3-carboxylic acid

3-ethyloxolane-3-carboxylic acid (PubChem CID 62740785) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-ethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyloxolane-3-carboxylic acid
PubChem CID62740785
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-ethyloxolane-3-carboxylic acid
SMILESCCC1(C(=O)O)CCOC1
InChIInChI=1S/C7H12O3/c1-2-7(6(8)9)3-4-10-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyWXEHQNAFKAOSFJ-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272855
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 79183754
2,5-diethyl-2-methyl-1,3-dioxane-5-carboxylic acid
CID 139962207
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963

Frequently Asked Questions

What is the IUPAC name of 3-ethyloxolane-3-carboxylic acid?
The IUPAC name of 3-ethyloxolane-3-carboxylic acid (CID 62740785) is 3-ethyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-ethyloxolane-3-carboxylic acid?
The canonical SMILES for 3-ethyloxolane-3-carboxylic acid is CCC1(C(=O)O)CCOC1.
What is the InChIKey of 3-ethyloxolane-3-carboxylic acid?
The InChIKey is WXEHQNAFKAOSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-7(6(8)9)3-4-10-5-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 3-ethyloxolane-3-carboxylic acid?
3-ethyloxolane-3-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxolane-3-carboxylic acid is sourced from PubChem (CID 62740785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).