ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate

C11H18O4 — CID 3637605

IUPACethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate
SMILESCCCC1(C(=O)OCC)CC(C)OC1=O
InChIInChI=1S/C11H18O4/c1-4-6-11(9(12)14-5-2)7-8(3)15-10(11)13/h8H,4-7H2,1-3H3
InChIKeyGNKFJQAUACHKSY-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds4

About ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate

ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate (PubChem CID 3637605) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate
PubChem CID3637605
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate
SMILESCCCC1(C(=O)OCC)CC(C)OC1=O
InChIInChI=1S/C11H18O4/c1-4-6-11(9(12)14-5-2)7-8(3)15-10(11)13/h8H,4-7H2,1-3H3
InChIKeyGNKFJQAUACHKSY-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 5-methyl-2-oxo-3-propyloxolane-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 3-[3-(2-carbamoylhydrazinyl)but-2-enyl]-5-methyl-2-oxooxolane-3-carboxylate
CID 5098254
ethyl 3-butyl-2-oxo-5-[(2,2,2-trichloroacetyl)oxymethyl]oxolane-3-carboxylate
CID 23265257
ethyl (3R,5R)-5-(carbamimidoylsulfanylmethyl)-3-ethyl-2-oxooxolane-3-carboxylate
CID 6339316
ethyl 5-(carbamimidoylsulfanylmethyl)-3-ethyl-2-oxooxolane-3-carboxylate;hydrochloride
CID 128962618
diethyl (1R,5S)-7-oxo-6-oxabicyclo[3.2.0]heptane-3,3-dicarboxylate
CID 71730024
ethyl (1R,2S,6S,8R)-4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-8-carboxylate
CID 129438708
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
ethyl 3-methyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 11769750
diethyl 4-methyl-5-oxooxolane-3,3-dicarboxylate
CID 131888286
ethyl 1,4-dimethyl-2,3-dioxocyclopentane-1-carboxylate
CID 54363469
ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate
CID 7315630
cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate (CID 3637605) is ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate is CCCC1(C(=O)OCC)CC(C)OC1=O.
What is the InChIKey of ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate?
The InChIKey is GNKFJQAUACHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-6-11(9(12)14-5-2)7-8(3)15-10(11)13/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate?
ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate is sourced from PubChem (CID 3637605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).