(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate

C8H10O5 — CID 68583941

IUPAC(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-3-5(2)7(9)12-6-4-11-8(10)13-6/h3,6H,4H2,1-2H3
InChIKeyQPYIPDMBOWJSII-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.99
Rot. Bonds2

About (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate

(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate (PubChem CID 68583941) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate
PubChem CID68583941
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-3-5(2)7(9)12-6-4-11-8(10)13-6/h3,6H,4H2,1-2H3
InChIKeyQPYIPDMBOWJSII-UHFFFAOYSA-N
XLogP0.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate (CID 68583941) is (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate is CC=C(C)C(=O)OC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate?
The InChIKey is QPYIPDMBOWJSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-3-5(2)7(9)12-6-4-11-8(10)13-6/h3,6H,4H2,1-2H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate?
(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate has a molecular weight of 186.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate is sourced from PubChem (CID 68583941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).