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

Related Compounds

diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
diethyl (4S,5S)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
CID 22852087
3-O-ethyl 2-O-(2-methylpropyl) (2R,3S)-oxirane-2,3-dicarboxylate
CID 10242413
CID 131848895
CID 131848895
diethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
CID 6941512
ethyl (1R,3S,4S)-2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate
CID 10899289
dipropyl oxirane-2,3-dicarboxylate
CID 58624990
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972311
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
(2S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-4-methylpentanoic acid
CID 11043936
ethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 59036373

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).