2,4,7,9-Tetramethyl-5-decyne-4,7-diol

CAS 126-86-3  ·  C14H26O2  ·  MW 226.35 g/mol

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3D model 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, CAS 126-86-3, molecular formula C14H26O2, molar mass 226.35 g/mol
About 2,4,7,9-Tetramethyl-5-decyne-4,7-diol

2,4,7,9-Tetramethyl-5-decyne-4,7-diol is a chemical compound registered under number CAS 126-86-3, with the molecular formula C14H26O2, and a molar mass of 226.35 g/mol.

The molecule contains 42 atoms connected by 41 chemical bonds. The full systematic IUPAC name of this compound is 2,4,7,9-tetramethyldec-5-yne-4,7-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 = 2.7 (positive value, a lipophilic 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
Molecular formulaC14H26O2
Masa molowa226.35 g/mol
IUPAC2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)O)O
InChIKeyLXOFYPKXCSULTL-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA40.5 Ų
HBD / HBA2 / 2
PubChem CIDCID 31362 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H412 — Działa szkodliwie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
126-86-3 · 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL · Surfynol 104 · Surfynol 104A · TETRAMETHYL DECYNEDIOL · Surfynol 104E · Syrfynol 104 · 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl- · 1,4-Diisobutyl-1,4-dimethylbutynediol · Acetylenol E 00 · Zetasperse 1200 · Surynol 104 · Olfine PD 301 · B9Y126NY8K · NSC-5630
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
2,4,7,9-Tetramethyl-5-decyne-4,7-diol — CAS 126-86-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
2,4,7,9-Tetramethyl-5-decyne-4,7-diol (CAS 126-86-3) — License & Provenance

Source:
2,4,7,9-Tetramethyl-5-decyne-4,7-diol (CAS 126-86-3) — MolGod molecule record

Source data: PubChem CID 31362

STL: Download 3D model (849 KB)

SHA-256: 27c953d04aa0aa7ab6ccab3d2440086c913efdd0de4fb54f885d41e78fcbfae5

Wikimedia Commons: not published yet

Source data: PubChem CID 31362

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