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

C8H10O5 — CID 11126977

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
InChIKeyNUTJVZGIRRFKKI-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.64
Rot. Bonds3

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

(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate (PubChem CID 11126977) 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)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
PubChem CID11126977
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
InChIKeyNUTJVZGIRRFKKI-UHFFFAOYSA-N
XLogP0.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.64
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)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate (CID 11126977) is (2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
The InChIKey is NUTJVZGIRRFKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate has a molecular weight of 186.16 g/mol, XLogP of 0.64, 3 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)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 11126977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).