Di-u-methoxobis(1,5-cyclooctadiene)diiridium (I)

Name: Di-u-methoxobis(1,5-cyclooctadiene)diiridium (I) (CAS 12148-71-9) ——完整化学数据集
Creator: MolGod.org
License: https://molgod.org/copyright/#data

CAS 12148-71-9 · C₁₈H₃₀Ir₂O₂ · MW 664.9 g/mol

Full record: Di-u-methoxobis(1,5-cyclooctadiene)diiridium (I) — Safety Data Sheet →

关于 Di-u-methoxobis(1,5-cyclooctadiene)diiridium (I)

Di-u-methoxobis(1,5-cyclooctadiene)diiridium (I) 是一种化学品，登记号为 CAS 12148-71-9，分子式为 C₁₈H₃₀Ir₂O₂，摩尔质量为 664.9 g/mol。

该分子包含 54 个原子，通过 52 个化学键连接。该化合物的完整系统 IUPAC 名称为 bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);methanol。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，极性表面积 PSA = 40.5 Å²，2 个氢键供体和 2 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。交互式3D模型和查看器图像受版权保护（© MolGod.org）——使用条款：molgod.org/copyright/。

理化性质

Molecular formula	C₁₈H₃₀Ir₂O₂
Molar mass	664.9 g/mol
IUPAC	bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);methanol
SMILES	`CO.CO.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ir].[Ir]`
InChIKey	`MNKCGUKVRJZKEQ-MIXQCLKLSA-N`
logP (XLogP3)	—
PSA	40.5 Å²
HBD / HBA	2 / 2
PubChem CID	CID 11735004 ↗

科学文献

Related literature

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

📈 发表时间线（文章数：10）

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Photoinduced oxidative addition chemistry of bis(1,5-cyclooctadiene)bis(.mu.-pyrazolyl)diiridium(I)

Jonathan V. Caspar, Harry B. Gray (1984) · Journal of the American Chemical Society

Cytowania: 51$ PaywallDOI ↗

Binuclear oxidative addition of alkynes to phosphido-bridged dirhodium and diiridium 1,5-cyclooctadiene complexes

Tom S. Targos, Gregory L. Geoffroy, Arnold L. Rheingold (1986) · Organometallics

Cytowania: 19$ PaywallDOI ↗

Acetonitrile complexes of diiridium Part 1. Isolation and characterization of the partially solvated cations [Ir2(COD)(μ-form)2(MeCN)3]2+ and [Ir2(μ-form)2(MeCN)6]2+ (COD = 1,5-cyclooctadiene, form = N, N′ -di-p-tolylformamidinate)

Kim R. Dunbar, Shannon O. Majors, Jui-Sui Sun (1995) · Inorganica Chimica Acta

Cytowania: 12$ PaywallDOI ↗

Di-μ-chlorobis(1,5-cyclooctadiene)diiridium(I)

Stephen A. Westcott, Saravanan Parthasarathy (2013) · Encyclopedia of Reagents for Organic Synthesis

Cytowania: 1$ PaywallDOI ↗

Di-μ-methoxobis(1,5-cyclooctadiene)diiridium(I)

Hongbo Li, Thomas J. Colacot (2010) · Encyclopedia of Reagents for Organic Synthesis

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Di-μ-chlorobis(1,5-cyclooctadiene)diiridium(I)

Stephen A. Westcott (2001) · Encyclopedia of Reagents for Organic Synthesis

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Tin(II) Chloride-Bis(1,5-cyclooctadiene)diiridium/rhodium(I)

Sujit Roy, Ujjal Kanti Roy (2009) · Encyclopedia of Reagents for Organic Synthesis

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Bis(1,5-cyclooctadiene)diiridium(I) Dichloride-Tin(IV) Chloride

Sujit Roy, Paresh Nath Chatterjee (2009) · Encyclopedia of Reagents for Organic Synthesis

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<scp>D</scp> i‐μ‐chlorobis(1,5‐cyclooctadiene) diiridium

Tse‐Lok Ho, Mary Fieser, Louis Fieser (2006) · Fieser and Fieser's Reagents for Organic Synthesis

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ChemInform Abstract: PHOTOINDUCED OXIDATIVE ADDITION CHEMISTRY OF BIS(1,5‐CYCLOOCTADIENE)BIS(μ‐PYRAZOLYL)DIIRIDIUM(I)

J. V. CASPAR, H. B. GRAY (1984) · Chemischer Informationsdienst

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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.

同义词

Di-u-methoxobis(1,5-cyclooctadiene)diiridium (I) · di-mu-methoxobis(1,5-cyclooctadiene)diiridium (I) · CS-48313 · 12148-71-9 · (1Z,5Z)-cycloocta-1,5-diene;iridium;methanol

数据来源

📊 PubChem CID 11735004 — NIH
🔬 NIST WebBook — 光谱
💊 ChEMBL — 生物活性