ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate

C12H20O5 — CID 135014378

IUPACethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate
SMILESCCOC(=O)CCC1CCC(C(=O)OCC)O1
InChIInChI=1S/C12H20O5/c1-3-15-11(13)8-6-9-5-7-10(17-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChIKeyLAHKWZHTZRTMEL-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.44
Rot. Bonds6

About ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate

ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate (PubChem CID 135014378) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate
PubChem CID135014378
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate
SMILESCCOC(=O)CCC1CCC(C(=O)OCC)O1
InChIInChI=1S/C12H20O5/c1-3-15-11(13)8-6-9-5-7-10(17-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChIKeyLAHKWZHTZRTMEL-UHFFFAOYSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-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

cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione
CID 56667025
Therlanubutanolide A
CID 156582491
2,5-Furandicarboxylic acid, tetrahydro-, dimethyl ester
CID 568148
(5R)-5-[(2R)-5-oxooxolan-2-yl]oxolan-2-one
CID 11062821
rac-(2R,5S)-5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylic acid
CID 125424526
rac-(2R,5R)-5-pentyloxolane-2-carboxylic acid
CID 155821486
Ethyl 4-(oxolan-2-yl)butanoate
CID 13763957
Methyl 5-(3-Methoxy-3-oxopropyl)tetrahydrofuran-2-carboxylate
CID 44632342
methyl (2S,4R,5R)-4,5-diacetyloxy-6-[(1R)-1,2-diacetyloxyethyl]-2-fluorooxane-2-carboxylate
CID 89473167
Tetramethyl-3-mannolakton
CID 22887058
5-(5-Oxooxolan-2-yl)oxolan-2-one
CID 13700970
[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate
CID 14101693

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate?
The IUPAC name of ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate (CID 135014378) is ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate?
The canonical SMILES for ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate is CCOC(=O)CCC1CCC(C(=O)OCC)O1.
What is the InChIKey of ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate?
The InChIKey is LAHKWZHTZRTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-3-15-11(13)8-6-9-5-7-10(17-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate?
ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate is sourced from PubChem (CID 135014378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).