ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate

C13H20O4 — CID 23260485

IUPACethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate
SMILESC=CC[C@@]1(C(C)C)OC(=O)C[C@H]1C(=O)OCC
InChIInChI=1S/C13H20O4/c1-5-7-13(9(3)4)10(8-11(14)17-13)12(15)16-6-2/h5,9-10H,1,6-8H2,2-4H3/t10-,13-/m0/s1
InChIKeyZUOWVNDVDPORAY-GWCFXTLKSA-N
MW240.30 g/mol
LogP2.08
Rot. Bonds5

About ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate

ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate (PubChem CID 23260485) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate
PubChem CID23260485
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Nameethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate
SMILESC=CC[C@@]1(C(C)C)OC(=O)C[C@H]1C(=O)OCC
InChIInChI=1S/C13H20O4/c1-5-7-13(9(3)4)10(8-11(14)17-13)12(15)16-6-2/h5,9-10H,1,6-8H2,2-4H3/t10-,13-/m0/s1
InChIKeyZUOWVNDVDPORAY-GWCFXTLKSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-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

ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
CID 101240165
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
ethyl 3-methylidene-5-oxo-2-propan-2-yloxolane-2-carboxylate
CID 102240659
ethyl (2R,3S)-2,4,4-trimethyl-5-oxo-2-propan-2-yloxolane-3-carboxylate
CID 15145481
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
ethyl (1R,4R,5S,6R)-5-methyl-2-oxo-4-(3-oxobutyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 46849618
ethyl (3aS,7aS)-2-oxo-7a-prop-2-enyl-4,5,6,7-tetrahydro-3H-1-benzofuran-3a-carboxylate
CID 71725973
ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
CID 101240167
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (2R,3S)-3-but-3-en-2-yl-3-methylaziridine-2-carboxylate
CID 101392583
ethyl (1'R,3'aR,6'aR)-5,5-dimethyl-2'-oxo-1'-prop-2-enylspiro[1,3-dioxane-2,4'-3a,5,6,6a-tetrahydro-3H-pentalene]-1'-carboxylate
CID 25131457

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate?
The IUPAC name of ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate (CID 23260485) is ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate?
The canonical SMILES for ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate is C=CC[C@@]1(C(C)C)OC(=O)C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate?
The InChIKey is ZUOWVNDVDPORAY-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-7-13(9(3)4)10(8-11(14)17-13)12(15)16-6-2/h5,9-10H,1,6-8H2,2-4H3/t10-,13-/m0/s1.
What are the key properties of ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate?
ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-5-oxo-2-propan-2-yl-2-prop-2-enyloxolane-3-carboxylate is sourced from PubChem (CID 23260485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).