2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate

C13H20O6 — CID 139951419

IUPAC2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(=O)OCC1(CC)COC1
InChIInChI=1S/C13H20O6/c1-3-11(14)18-6-5-16-7-12(15)19-10-13(4-2)8-17-9-13/h3H,1,4-10H2,2H3
InChIKeyZCCVHXBBPWZKPD-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.70
Rot. Bonds9

About 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate

2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate (PubChem CID 139951419) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
PubChem CID139951419
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(=O)OCC1(CC)COC1
InChIInChI=1S/C13H20O6/c1-3-11(14)18-6-5-16-7-12(15)19-10-13(4-2)8-17-9-13/h3H,1,4-10H2,2H3
InChIKeyZCCVHXBBPWZKPD-UHFFFAOYSA-N
XLogP0.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-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-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate (CID 139951419) is 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCC(=O)OCC1(CC)COC1.
What is the InChIKey of 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate?
The InChIKey is ZCCVHXBBPWZKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-3-11(14)18-6-5-16-7-12(15)19-10-13(4-2)8-17-9-13/h3H,1,4-10H2,2H3.
What are the key properties of 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate?
2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 0.70, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 139951419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).