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 widget above may be used for educational, research and commercial purposes.

Molecular formula	C5H12O2
Masa molowa	104.15 g/mol
IUPAC	2,2-dimethylpropane-1,3-diol
SMILES	CC(C)(CO)CO
InChIKey	SLCVBVWXLSEKPL-UHFFFAOYSA-N
logP (XLogP3)	0
PSA	40.5 Ų
HBD / HBA	2 / 2
PubChem CID	CID 31344 ↗

Signal word: Danger

H318 — Powoduje poważne uszkodzenie oczu

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

• 📊 PubChem CID 31344 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność