[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate

C12H16O5 — CID 164578547

IUPAC[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1=COC(C)(CC(C)=O)O1
InChIInChI=1S/C12H16O5/c1-8(2)11(14)15-6-10-7-16-12(4,17-10)5-9(3)13/h7H,1,5-6H2,2-4H3
InChIKeyMRIDDFHDSLNMSA-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.69
Rot. Bonds5

About [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate

[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate (PubChem CID 164578547) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate
PubChem CID164578547
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1=COC(C)(CC(C)=O)O1
InChIInChI=1S/C12H16O5/c1-8(2)11(14)15-6-10-7-16-12(4,17-10)5-9(3)13/h7H,1,5-6H2,2-4H3
InChIKeyMRIDDFHDSLNMSA-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.69
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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Related Compounds

(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate
CID 155797165
4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
CID 154637590
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
(1,3,4,5,6-pentamethyl-2-bicyclo[2.2.0]hexa-2,5-dienyl)methyl 2-methylprop-2-enoate
CID 21020518
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 139641232
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-methylprop-2-enoate;butane
CID 174907722
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 118494757

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate (CID 164578547) is [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1=COC(C)(CC(C)=O)O1.
What is the InChIKey of [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate?
The InChIKey is MRIDDFHDSLNMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(2)11(14)15-6-10-7-16-12(4,17-10)5-9(3)13/h7H,1,5-6H2,2-4H3.
What are the key properties of [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate?
[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate has a molecular weight of 240.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 164578547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).