2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde

C10H10O4 — CID 134937460

IUPAC2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde
SMILESCC1OOC(c2ccccc2C=O)O1
InChIInChI=1S/C10H10O4/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-7,10H,1H3
InChIKeyLWZGOGIMNNKODE-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.82
Rot. Bonds2

About 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde

2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde (PubChem CID 134937460) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde
PubChem CID134937460
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde
SMILESCC1OOC(c2ccccc2C=O)O1
InChIInChI=1S/C10H10O4/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-7,10H,1H3
InChIKeyLWZGOGIMNNKODE-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-formylphenyl)-1,2,4-trioxolane-3-carbonitrile
CID 134986787
2-(2-methoxy-3-methylcyclopentyl)benzaldehyde
CID 88745680
2-cyclodecylbenzaldehyde
CID 142358507
2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
CID 154426433
2-(5-oxomorpholin-3-yl)benzaldehyde
CID 115023845
methyl (E)-3-[2-(2-formylphenyl)-1,3-dioxol-4-yl]prop-2-enoate
CID 87139941
2-[bis(trimethylsilyl)amino]benzaldehyde
CID 88850673
3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde
CID 149481699
3-(1,3-dioxan-2-yl)-2-methylbenzaldehyde
CID 91416344
2-(3-oxocyclohexyl)benzaldehyde
CID 115022556
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde
CID 154426442

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde?
The IUPAC name of 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde (CID 134937460) is 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde.
What is the SMILES notation for 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde?
The canonical SMILES for 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde is CC1OOC(c2ccccc2C=O)O1.
What is the InChIKey of 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde?
The InChIKey is LWZGOGIMNNKODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-7,10H,1H3.
What are the key properties of 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde?
2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde has a molecular weight of 194.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde is sourced from PubChem (CID 134937460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).