4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid

C8H12O5 — CID 68522550

IUPAC4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1COC(=O)O1
InChIInChI=1S/C4H6O3.C4H6O2/c1-3-2-6-4(5)7-3;1-3(2)4(5)6/h3H,2H2,1H3;1H2,2H3,(H,5,6)
InChIKeyQIYMZTXOQUJMML-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.19
Rot. Bonds1

About 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid

4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid (PubChem CID 68522550) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
PubChem CID68522550
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1COC(=O)O1
InChIInChI=1S/C4H6O3.C4H6O2/c1-3-2-6-4(5)7-3;1-3(2)4(5)6/h3H,2H2,1H3;1H2,2H3,(H,5,6)
InChIKeyQIYMZTXOQUJMML-UHFFFAOYSA-N
XLogP1.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660
4-methyl-1,3-dioxolan-2-one;phthalic acid
CID 160550457
formamide;4-methyl-1,3-dioxolan-2-one
CID 157162326
4-methyl-1,3-dioxolan-2-one;oxolane
CID 21280178
1-(1-hydroxyethylsulfanyl)ethanol;4-methyl-1,3-dioxolan-2-one
CID 174868758
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
4-methyl-1,3-dioxolan-2-one;tetraethylazanium;fluoride
CID 21289642
2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
CID 22101666
2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
CID 174922759
1,3-dioxolan-2-one;4-methyl-1,3-dioxolan-2-one;pentyl acetate
CID 175300180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid (CID 68522550) is 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC1COC(=O)O1.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid?
The InChIKey is QIYMZTXOQUJMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C4H6O2/c1-3-2-6-4(5)7-3;1-3(2)4(5)6/h3H,2H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid?
4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid has a molecular weight of 188.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid is sourced from PubChem (CID 68522550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).