Neopentanediol (CAS 126-30-7)

Neopentyl glycol

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

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

Neopentanediol (CAS 126-30-7) 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.

Physicochemical properties
Wzór sumarycznyC5H12O2
Masa molowa104.15 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

Sygnał: Niebezpieczeństwo

GHS05
GHS05
GHS07
GHS07

H318 — Powoduje poważne uszkodzenie oczu

Scientific literature

Brak artykułów naukowych dla CAS 126-30-7 w PubMed / OpenAlex / Semantic Scholar.

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
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