3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate

C11H14O6 — CID 134242126

IUPAC3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)OC1CC(=O)OC1=O
InChIInChI=1S/C11H14O6/c1-3-9(12)15-5-4-7(2)16-8-6-10(13)17-11(8)14/h3,7-8H,1,4-6H2,2H3
InChIKeyVTHGCYFVQKKBJJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.35
Rot. Bonds6

About 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate

3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate (PubChem CID 134242126) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate.

Molecular Properties

Compound Name3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate
PubChem CID134242126
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)OC1CC(=O)OC1=O
InChIInChI=1S/C11H14O6/c1-3-9(12)15-5-4-7(2)16-8-6-10(13)17-11(8)14/h3,7-8H,1,4-6H2,2H3
InChIKeyVTHGCYFVQKKBJJ-UHFFFAOYSA-N
XLogP0.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxooxolan-3-yl)oxybutyl 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

Related Compounds

3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
(2,6-dioxooxan-3-yl) prop-2-enoate
CID 150861721
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
hexanedioic acid;3-prop-2-enoyloxybutyl prop-2-enoate
CID 157302822
chlorosilane;3,3-dichloropropyl prop-2-enoate
CID 173094575
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
3-methylsulfanyloxysilylbutyl prop-2-enoate
CID 123666371
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
CID 89231934

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate?
The IUPAC name of 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate (CID 134242126) is 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate.
What is the SMILES notation for 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate?
The canonical SMILES for 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate is C=CC(=O)OCCC(C)OC1CC(=O)OC1=O.
What is the InChIKey of 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate?
The InChIKey is VTHGCYFVQKKBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-3-9(12)15-5-4-7(2)16-8-6-10(13)17-11(8)14/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate?
3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate has a molecular weight of 242.23 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate is sourced from PubChem (CID 134242126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).