methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate

C7H8O5 — CID 134599664

IUPACmethyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate
SMILESC=CC1OC(=O)OC1C(=O)OC
InChIInChI=1S/C7H8O5/c1-3-4-5(6(8)10-2)12-7(9)11-4/h3-5H,1H2,2H3
InChIKeyACUQVFOEMSZAJW-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.25
Rot. Bonds2

About methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate

methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599664) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599664
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Namemethyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate
SMILESC=CC1OC(=O)OC1C(=O)OC
InChIInChI=1S/C7H8O5/c1-3-4-5(6(8)10-2)12-7(9)11-4/h3-5H,1H2,2H3
InChIKeyACUQVFOEMSZAJW-UHFFFAOYSA-N
XLogP0.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.25
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 methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate (CID 134599664) is methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate is C=CC1OC(=O)OC1C(=O)OC.
What is the InChIKey of methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is ACUQVFOEMSZAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-3-4-5(6(8)10-2)12-7(9)11-4/h3-5H,1H2,2H3.
What are the key properties of methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate?
methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 172.14 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).