Neopentyl glycol

CAS 126-30-7  ·  C5H12O2  ·  MW 104.15 g/mol

Full record: Neopentyl glycol — Safety Data Sheet →

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3D model Neopentyl glycol, CAS 126-30-7, molecular formula C5H12O2, molar mass 104.15 g/mol

Model views

  • Neopentyl glycol (CAS 126-30-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Neopentyl glycol (CAS 126-30-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Neopentyl glycol (CAS 126-30-7) – 2D structure, MolGod Viewer
    2D structure

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About Neopentyl glycol

Neopentyl glycol is a chemical compound registered under number CAS 126-30-7, with the molecular formula C5H12O2, and a molar mass of 104.15 g/mol.

The molecule contains 19 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 2,2-dimethylpropane-1,3-diol. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0 (negative value, a hydrophilic compound), polar surface area PSA = 40.5 Ų, 2 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC5H12O2
Molar mass104.15 g/mol
IUPAC2,2-dimethylpropane-1,3-diol
SMILESCC(C)(CO)CO
InChIKeySLCVBVWXLSEKPL-UHFFFAOYSA-N
logP (XLogP3)0
PSA40.5 Ų
HBD / HBA2 / 2
PubChem CIDCID 31344 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H318 — Causes serious eye damage

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Neopentyl glycol · 126-30-7 · 2,2-Dimethylpropane-1,3-diol · 2,2-DIMETHYL-1,3-PROPANEDIOL · Dimethylolpropane · Neopentanediol · Neopentylene glycol · 1,3-Propanediol, 2,2-dimethyl- · Neopentylglycol · Neol · Dimethyltrimethylene glycol · Hydroxypivalyl alcohol · 2,2-Dimethyltrimethylene glycol · Nexcoat 600 · 2,2-Dimethyl-1,3 propanediol
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Neopentyl glycol · 126-30-7
InChIKey
SLCVBVWXLSEKPL-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Neopentyl glycol (CAS 126-30-7)
License & provenance record
Neopentyl glycol (CAS 126-30-7) →
MolGod molecule record
Neopentyl glycol →
Source data
PubChem CID 31344 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
62fbae40dcbcc78f0fd66436f377b3b0a8032491c80b639254aca647044033f9
MD5 (STL)
24751bd8cf5a34ab3fac638b171f9cd4
MolGod Identification Number
MG_924-627-498-26
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23953668) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 31344)
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