[2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate

C12H20O5 — CID 167713519

IUPAC[2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OCC)OC1CCCO1
InChIInChI=1S/C12H20O5/c1-4-14-11(8-16-12(13)9(2)3)17-10-6-5-7-15-10/h10-11H,2,4-8H2,1,3H3
InChIKeyNWNRULNGAYXFHF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.62
Rot. Bonds7

About [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate

[2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate (PubChem CID 167713519) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate
PubChem CID167713519
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OCC)OC1CCCO1
InChIInChI=1S/C12H20O5/c1-4-14-11(8-16-12(13)9(2)3)17-10-6-5-7-15-10/h10-11H,2,4-8H2,1,3H3
InChIKeyNWNRULNGAYXFHF-UHFFFAOYSA-N
XLogP1.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate (CID 167713519) is [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(OCC)OC1CCCO1.
What is the InChIKey of [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate?
The InChIKey is NWNRULNGAYXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-14-11(8-16-12(13)9(2)3)17-10-6-5-7-15-10/h10-11H,2,4-8H2,1,3H3.
What are the key properties of [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate?
[2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2-(oxolan-2-yloxy)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 167713519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).