1,3-dioxol-2-yl prop-2-enoate

C6H6O4 — CID 140978089

IUPAC1,3-dioxol-2-yl prop-2-enoate
SMILESC=CC(=O)OC1OC=CO1
InChIInChI=1S/C6H6O4/c1-2-5(7)10-6-8-3-4-9-6/h2-4,6H,1H2
InChIKeyJSKLSUGWTDKLQN-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.52
Rot. Bonds2

About 1,3-dioxol-2-yl prop-2-enoate

1,3-dioxol-2-yl prop-2-enoate (PubChem CID 140978089) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1,3-dioxol-2-yl prop-2-enoate.

Molecular Properties

Compound Name1,3-dioxol-2-yl prop-2-enoate
PubChem CID140978089
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name1,3-dioxol-2-yl prop-2-enoate
SMILESC=CC(=O)OC1OC=CO1
InChIInChI=1S/C6H6O4/c1-2-5(7)10-6-8-3-4-9-6/h2-4,6H,1H2
InChIKeyJSKLSUGWTDKLQN-UHFFFAOYSA-N
XLogP0.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dioxol-2-yl 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

2,3-dihydrofuran-2-yl prop-2-enoate;oxolane
CID 175163345
CID 159294157
CID 159294157
(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate
CID 69346951
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158
(5-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
7-oxabicyclo[4.1.0]hept-1-en-3-yl prop-2-enoate
CID 163516342
[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
CID 88741656
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520
[(3R,4S,5R)-4,5,6-tri(prop-2-enoyloxy)oxan-3-yl] prop-2-enoate
CID 126578301
trans-(3R,5R)-1,3,5-trihydroxy-4-prop-2-enoyloxycyclohexane-1-carboxylic acid
CID 166881081

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-yl prop-2-enoate?
The IUPAC name of 1,3-dioxol-2-yl prop-2-enoate (CID 140978089) is 1,3-dioxol-2-yl prop-2-enoate.
What is the SMILES notation for 1,3-dioxol-2-yl prop-2-enoate?
The canonical SMILES for 1,3-dioxol-2-yl prop-2-enoate is C=CC(=O)OC1OC=CO1.
What is the InChIKey of 1,3-dioxol-2-yl prop-2-enoate?
The InChIKey is JSKLSUGWTDKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-2-5(7)10-6-8-3-4-9-6/h2-4,6H,1H2.
What are the key properties of 1,3-dioxol-2-yl prop-2-enoate?
1,3-dioxol-2-yl prop-2-enoate has a molecular weight of 142.11 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-yl prop-2-enoate is sourced from PubChem (CID 140978089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).