2-ethyl-1,3-dioxolane-4-carboxylic acid

C6H10O4 — CID 18685623

IUPAC2-ethyl-1,3-dioxolane-4-carboxylic acid
SMILESCCC1OCC(C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-2-5-9-3-4(10-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyNIXVNWCVRSMYAN-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds2

About 2-ethyl-1,3-dioxolane-4-carboxylic acid

2-ethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 18685623) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID18685623
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-ethyl-1,3-dioxolane-4-carboxylic acid
SMILESCCC1OCC(C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-2-5-9-3-4(10-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyNIXVNWCVRSMYAN-UHFFFAOYSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2-ethyl-1,3-dioxolane-4-carboxylic acid (CID 18685623) is 2-ethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2-ethyl-1,3-dioxolane-4-carboxylic acid is CCC1OCC(C(=O)O)O1.
What is the InChIKey of 2-ethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is NIXVNWCVRSMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-2-5-9-3-4(10-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-ethyl-1,3-dioxolane-4-carboxylic acid?
2-ethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 18685623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).