methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate

C7H10O5 — CID 134599672

IUPACmethyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
SMILESCCC1(C(=O)OC)COC(=O)O1
InChIInChI=1S/C7H10O5/c1-3-7(5(8)10-2)4-11-6(9)12-7/h3-4H2,1-2H3
InChIKeyJJVCISVYDLQPMG-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.47
Rot. Bonds2

About methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate

methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599672) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599672
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namemethyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
SMILESCCC1(C(=O)OC)COC(=O)O1
InChIInChI=1S/C7H10O5/c1-3-7(5(8)10-2)4-11-6(9)12-7/h3-4H2,1-2H3
InChIKeyJJVCISVYDLQPMG-UHFFFAOYSA-N
XLogP0.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate 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 methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate (CID 134599672) is methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate is CCC1(C(=O)OC)COC(=O)O1.
What is the InChIKey of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is JJVCISVYDLQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-7(5(8)10-2)4-11-6(9)12-7/h3-4H2,1-2H3.
What are the key properties of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 174.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).