4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid

C14H14O7 — CID 174813314

IUPAC4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid
SMILESC=CC1COC(=O)O1.Cc1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C9H8O4.C5H6O3/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-2-4-3-7-5(6)8-4/h2-4H,1H3,(H,10,11)(H,12,13);2,4H,1,3H2
InChIKeyJGSBONXOTGFQCA-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.10
Rot. Bonds3

About 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid

4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174813314) has the molecular formula C14H14O7 and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid
PubChem CID174813314
Molecular FormulaC14H14O7
Molecular Weight294.26 g/mol
Exact Mass294.07
IUPAC Name4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid
SMILESC=CC1COC(=O)O1.Cc1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C9H8O4.C5H6O3/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-2-4-3-7-5(6)8-4/h2-4H,1H3,(H,10,11)(H,12,13);2,4H,1,3H2
InChIKeyJGSBONXOTGFQCA-UHFFFAOYSA-N
XLogP2.10
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Methoxycarbonyl)benzoic acid
CID 601880
1,2,4-Benzenetricarboxylic acid, 1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester
CID 158455
1,2-Benzenedicarboxylic acid, 1-(1-methyl-2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl) ester
CID 106661
3-Oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid
CID 275087
Benzoic acid, 2-(2-methoxy-2-oxoethyl)-
CID 177459
2-[2-(Methoxycarbonyl)phenyl]acetic acid
CID 584245
4-Methylbenzene-1,3-dicarboxylic acid
CID 595750
1,3-Benzenedicarboxylic acid, polymer with 2,5-furandione and 1,2-propanediol
CID 168512
3-[(E)-[5-(hydroxymethyl)-5-[(4-methyl-3-propan-2-ylpentanoyl)oxymethyl]-2-oxooxolan-3-ylidene]methyl]benzoic acid
CID 90655994
2-[(1S)-1-acetyloxypentyl]benzoic acid
CID 71606428
2-(1-Acetyloxypentyl)benzoic acid
CID 78130677
3,4-Bis(methoxycarbonyl)benzoic acid
CID 610016

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid (CID 174813314) is 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid is C=CC1COC(=O)O1.Cc1c(C(=O)O)cccc1C(=O)O.
What is the InChIKey of 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is JGSBONXOTGFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C5H6O3/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-2-4-3-7-5(6)8-4/h2-4H,1H3,(H,10,11)(H,12,13);2,4H,1,3H2.
What are the key properties of 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid?
4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 294.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174813314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).