oxiran-2-ylmethyl benzenecarboperoxoate

C10H10O4 — CID 154251538

IUPACoxiran-2-ylmethyl benzenecarboperoxoate
SMILESO=C(OOCC1CO1)c1ccccc1
InChIInChI=1S/C10H10O4/c11-10(8-4-2-1-3-5-8)14-13-7-9-6-12-9/h1-5,9H,6-7H2
InChIKeyMAKFPDTZJTWUKE-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.17
Rot. Bonds4

About oxiran-2-ylmethyl benzenecarboperoxoate

oxiran-2-ylmethyl benzenecarboperoxoate (PubChem CID 154251538) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is oxiran-2-ylmethyl benzenecarboperoxoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl benzenecarboperoxoate
PubChem CID154251538
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Nameoxiran-2-ylmethyl benzenecarboperoxoate
SMILESO=C(OOCC1CO1)c1ccccc1
InChIInChI=1S/C10H10O4/c11-10(8-4-2-1-3-5-8)14-13-7-9-6-12-9/h1-5,9H,6-7H2
InChIKeyMAKFPDTZJTWUKE-UHFFFAOYSA-N
XLogP1.17
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl benzenecarboperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
2-(oxiran-2-ylmethoxy)ethyl benzoate
CID 13013250
cyclohexane;hydroxymethyl benzenecarboperoxoate
CID 88547213
(4-phenylphenyl) 4-(oxiran-2-ylmethoxy)benzoate
CID 100970977
oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate
CID 87121058
oxiran-2-ylmethyl 4-[4-(oxiran-2-ylmethoxycarbonyl)phenoxy]benzoate
CID 56615855
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
2-[(2R,4R)-2-(benzoyloxymethyl)-1,3-dioxolan-4-yl]acetic acid
CID 67215314
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl benzenecarboperoxoate?
The IUPAC name of oxiran-2-ylmethyl benzenecarboperoxoate (CID 154251538) is oxiran-2-ylmethyl benzenecarboperoxoate.
What is the SMILES notation for oxiran-2-ylmethyl benzenecarboperoxoate?
The canonical SMILES for oxiran-2-ylmethyl benzenecarboperoxoate is O=C(OOCC1CO1)c1ccccc1.
What is the InChIKey of oxiran-2-ylmethyl benzenecarboperoxoate?
The InChIKey is MAKFPDTZJTWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-10(8-4-2-1-3-5-8)14-13-7-9-6-12-9/h1-5,9H,6-7H2.
What are the key properties of oxiran-2-ylmethyl benzenecarboperoxoate?
oxiran-2-ylmethyl benzenecarboperoxoate has a molecular weight of 194.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl benzenecarboperoxoate is sourced from PubChem (CID 154251538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).