ethyl 2-(oxolan-3-yloxy)pentanoate

C11H20O4 — CID 83038172

IUPACethyl 2-(oxolan-3-yloxy)pentanoate
SMILESCCCC(OC1CCOC1)C(=O)OCC
InChIInChI=1S/C11H20O4/c1-3-5-10(11(12)14-4-2)15-9-6-7-13-8-9/h9-10H,3-8H2,1-2H3
InChIKeyPKHZTISBLQSQNF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds6

About ethyl 2-(oxolan-3-yloxy)pentanoate

ethyl 2-(oxolan-3-yloxy)pentanoate (PubChem CID 83038172) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-(oxolan-3-yloxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(oxolan-3-yloxy)pentanoate
PubChem CID83038172
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 2-(oxolan-3-yloxy)pentanoate
SMILESCCCC(OC1CCOC1)C(=O)OCC
InChIInChI=1S/C11H20O4/c1-3-5-10(11(12)14-4-2)15-9-6-7-13-8-9/h9-10H,3-8H2,1-2H3
InChIKeyPKHZTISBLQSQNF-UHFFFAOYSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(oxolan-3-yloxy)pentanoate 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 2-(oxetan-3-yloxy)pentanoate
CID 102605335
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
methyl 2-(oxetan-3-yloxy)hexanoate
CID 102605289
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
ethyl 3-oxo-4-(oxolan-3-yloxy)butanoate
CID 63892437
3-ethoxy-3-oxo-2-(oxolan-3-yl)propanoic acid
CID 103973494
ethyl 2-(oxane-4-carbonyl)pentanoate
CID 83048896
1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane
CID 158273565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-3-yloxy)pentanoate?
The IUPAC name of ethyl 2-(oxolan-3-yloxy)pentanoate (CID 83038172) is ethyl 2-(oxolan-3-yloxy)pentanoate.
What is the SMILES notation for ethyl 2-(oxolan-3-yloxy)pentanoate?
The canonical SMILES for ethyl 2-(oxolan-3-yloxy)pentanoate is CCCC(OC1CCOC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(oxolan-3-yloxy)pentanoate?
The InChIKey is PKHZTISBLQSQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-5-10(11(12)14-4-2)15-9-6-7-13-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(oxolan-3-yloxy)pentanoate?
ethyl 2-(oxolan-3-yloxy)pentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-3-yloxy)pentanoate is sourced from PubChem (CID 83038172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).