4-methyl-1,3-dioxolan-2-one;oxalic acid

C6H8O7 — CID 159173945

IUPAC4-methyl-1,3-dioxolan-2-one;oxalic acid
SMILESCC1COC(=O)O1.O=C(O)C(=O)O
InChIInChI=1S/C4H6O3.C2H2O4/c1-3-2-6-4(5)7-3;3-1(4)2(5)6/h3H,2H2,1H3;(H,3,4)(H,5,6)
InChIKeyKMARMRNBPKGDPP-UHFFFAOYSA-N
MW192.12 g/mol
LogP-0.30
Rot. Bonds

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

4-methyl-1,3-dioxolan-2-one;oxalic acid (PubChem CID 159173945) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one;oxalic acid.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one;oxalic acid
PubChem CID159173945
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name4-methyl-1,3-dioxolan-2-one;oxalic acid
SMILESCC1COC(=O)O1.O=C(O)C(=O)O
InChIInChI=1S/C4H6O3.C2H2O4/c1-3-2-6-4(5)7-3;3-1(4)2(5)6/h3H,2H2,1H3;(H,3,4)(H,5,6)
InChIKeyKMARMRNBPKGDPP-UHFFFAOYSA-N
XLogP-0.30
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
CID 68522550
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-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
CID 174922759
hexane-1,1,1-triol;4-methyl-1,3-dioxolan-2-one
CID 160655445
4-methyl-3,4-dihydro-2,5-benzodioxocine-1,6-dione;4-methyl-1,3-dioxolan-2-one
CID 175599646

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one;oxalic acid?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one;oxalic acid (CID 159173945) is 4-methyl-1,3-dioxolan-2-one;oxalic acid.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one;oxalic acid?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one;oxalic acid is CC1COC(=O)O1.O=C(O)C(=O)O.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one;oxalic acid?
The InChIKey is KMARMRNBPKGDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C2H2O4/c1-3-2-6-4(5)7-3;3-1(4)2(5)6/h3H,2H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-methyl-1,3-dioxolan-2-one;oxalic acid?
4-methyl-1,3-dioxolan-2-one;oxalic acid has a molecular weight of 192.12 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one;oxalic acid is sourced from PubChem (CID 159173945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).