Phenyl glycidyl ether - engraved ball-and-stick model (CAS 122-60-1)

This entry presents Phenyl glycidyl ether (C9H10O2; CAS 122-60-1; PubChem CID 31217 ) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Structure at a glance

- 21 atoms: 9 C, 10 H, 2 O

- 22 bonds: 16 single, 6 aromatic

- Two rings (one 3-membered and one 6-membered), one of them aromatic

- Functional groups: one epoxide ring (three-membered C-O-C ring) and one ether linkage (C-O-C)

- One stereocentre; configuration not defined in the source record (no R/S label) — IUPAC name 2-(phenoxymethyl)oxirane

- No hydrogen-bond donors and two acceptors (computed)

- Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.33 (computed)

Use in teaching

- Counting task: students tally the engraved symbols (9 C, 10 H, 2 O; 21 atoms) and rebuild the formula C9H10O2 from the model alone.

- Stereochemistry: locate the stereocentre; the source record defines no configuration, so the printed conformer should not be read as a specific stereoisomer.

- Aromaticity: identify the aromatic ring among the two rings and the 6 bonds recorded as aromatic.

File and printing

STL mesh of 267,600 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 7.469 × 7.722 × 4.75 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 74.7 × 77.2 × 47.5 mm. SHA-256: 307562721eba82bc038fa4888dddb9c18e039d8a12e19050b7585f8d3d8f4c4e.

Validation

- InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): FQYUMYWMJTYZTK-UHFFFAOYSA-N

- Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

- Stereocentres in PubChem: 0 defined, 1 undefined; both counts match this record

- Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/122-60-1 · Licence and provenance record: molgod.org/licenses/stl/122-60-1 · Same file on Wikimedia Commons: File:Phenyl glycidyl ether-3D-molecular-model-engraved-CAS-122-60-1.stl

- MolGod ID: MG_496-573-404-66

- Wikidata: Q2257129

- EC number: 204-557-2

- ChemSpider ID: 28958

- InChIKey: FQYUMYWMJTYZTK-UHFFFAOYSA-N

- SMILES: C1C(O1)COC2=CC=CC=C2

- Molar mass 150.17 g/mol (exact mass 150.068079557)

Licence: CC BY-SA 4.0 ( licence text ). Required attribution: "Phenyl glycidyl ether 3D model by MolGod.org — https://molgod.org/molecule/122-60-1/ — CC BY-SA 4.0".