(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate

C9H12O5 — CID 18353928

IUPAC(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate
SMILESC=CC1OC(=O)OC1COC(=O)CC
InChIInChI=1S/C9H12O5/c1-3-6-7(14-9(11)13-6)5-12-8(10)4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyICJRISJLYIRSOB-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.03
Rot. Bonds4

About (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate

(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate (PubChem CID 18353928) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate.

Molecular Properties

Compound Name(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate
PubChem CID18353928
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate
SMILESC=CC1OC(=O)OC1COC(=O)CC
InChIInChI=1S/C9H12O5/c1-3-6-7(14-9(11)13-6)5-12-8(10)4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyICJRISJLYIRSOB-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate?
The IUPAC name of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate (CID 18353928) is (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate.
What is the SMILES notation for (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate?
The canonical SMILES for (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate is C=CC1OC(=O)OC1COC(=O)CC.
What is the InChIKey of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate?
The InChIKey is ICJRISJLYIRSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-3-6-7(14-9(11)13-6)5-12-8(10)4-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate?
(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate has a molecular weight of 200.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate is sourced from PubChem (CID 18353928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).