2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate

C10H14O6 — CID 138964052

IUPAC2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate
SMILESCCOC(=O)C(OC(=O)C(=O)OC)C1CC1
InChIInChI=1S/C10H14O6/c1-3-15-8(11)7(6-4-5-6)16-10(13)9(12)14-2/h6-7H,3-5H2,1-2H3
InChIKeyDAKMNWFLGPTAER-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.04
Rot. Bonds4

About 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate

2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate (PubChem CID 138964052) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate
PubChem CID138964052
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate
SMILESCCOC(=O)C(OC(=O)C(=O)OC)C1CC1
InChIInChI=1S/C10H14O6/c1-3-15-8(11)7(6-4-5-6)16-10(13)9(12)14-2/h6-7H,3-5H2,1-2H3
InChIKeyDAKMNWFLGPTAER-UHFFFAOYSA-N
XLogP0.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate 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 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate?
The IUPAC name of 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate (CID 138964052) is 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate.
What is the SMILES notation for 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate?
The canonical SMILES for 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate is CCOC(=O)C(OC(=O)C(=O)OC)C1CC1.
What is the InChIKey of 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate?
The InChIKey is DAKMNWFLGPTAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-15-8(11)7(6-4-5-6)16-10(13)9(12)14-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate?
2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate has a molecular weight of 230.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(1-cyclopropyl-2-ethoxy-2-oxoethyl) 1-O-methyl oxalate is sourced from PubChem (CID 138964052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).