(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate

C9H10O5 — CID 70213115

IUPAC(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C=C)COC(=O)O1
InChIInChI=1S/C9H10O5/c1-3-7(10)12-5-9(4-2)6-13-8(11)14-9/h3-4H,1-2,5-6H2
InChIKeyVHKPQCDWNLJLOF-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.81
Rot. Bonds4

About (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate

(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate (PubChem CID 70213115) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
PubChem CID70213115
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C=C)COC(=O)O1
InChIInChI=1S/C9H10O5/c1-3-7(10)12-5-9(4-2)6-13-8(11)14-9/h3-4H,1-2,5-6H2
InChIKeyVHKPQCDWNLJLOF-UHFFFAOYSA-N
XLogP0.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl prop-2-enoate
CID 11252619
[2-hydroxy-1,3,3-tris(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
CID 68606821
[9-[12-[6,12-dioxo-3,3-bis(prop-2-enoyloxymethyl)-1,5-dioxa-9-azacyclododec-9-yl]dodecyl]-6,12-dioxo-3-(prop-2-enoyloxymethyl)-1,5-dioxa-9-azacyclododec-3-yl]methyl prop-2-enoate
CID 16748659
(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
CID 174904859
[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 154021206
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
CID 156783562
(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl prop-2-enoate
CID 71325039
[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate
CID 118386791
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate
CID 166063146
[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate
CID 166810414
(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
The IUPAC name of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate (CID 70213115) is (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
The canonical SMILES for (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate is C=CC(=O)OCC1(C=C)COC(=O)O1.
What is the InChIKey of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
The InChIKey is VHKPQCDWNLJLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-3-7(10)12-5-9(4-2)6-13-8(11)14-9/h3-4H,1-2,5-6H2.
What are the key properties of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate has a molecular weight of 198.17 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 70213115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).