ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate

C10H16O6 — CID 163982638

IUPACethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@H]1OC(OCC)O[C@@H]1C(C)=O
InChIInChI=1S/C10H16O6/c1-4-13-9(12)8-7(6(3)11)15-10(16-8)14-5-2/h7-8,10H,4-5H2,1-3H3/t7-,8+,10?/m1/s1
InChIKeyXVPZEVVJQYCNAB-HHCGNCNQSA-N
MW232.23 g/mol
LogP0.24
Rot. Bonds5

About ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate

ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate (PubChem CID 163982638) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate
PubChem CID163982638
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Nameethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@H]1OC(OCC)O[C@@H]1C(C)=O
InChIInChI=1S/C10H16O6/c1-4-13-9(12)8-7(6(3)11)15-10(16-8)14-5-2/h7-8,10H,4-5H2,1-3H3/t7-,8+,10?/m1/s1
InChIKeyXVPZEVVJQYCNAB-HHCGNCNQSA-N
XLogP0.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (4S,5S)-5-acetyl-2-ethoxy-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 ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate?
The IUPAC name of ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate (CID 163982638) is ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate?
The canonical SMILES for ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate is CCOC(=O)[C@H]1OC(OCC)O[C@@H]1C(C)=O.
What is the InChIKey of ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate?
The InChIKey is XVPZEVVJQYCNAB-HHCGNCNQSA-N. The full InChI is InChI=1S/C10H16O6/c1-4-13-9(12)8-7(6(3)11)15-10(16-8)14-5-2/h7-8,10H,4-5H2,1-3H3/t7-,8+,10?/m1/s1.
What are the key properties of ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate?
ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate has a molecular weight of 232.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 163982638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).