Triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]phosphonium iodide

HCID 21094223

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 745052-92-0
標準SMILES: [I-].c1ccc([P+](CC2CCOCC2)(c2ccccc2)c2ccccc2)cc1
InChIKey: XJEMHAHSQBWRGG-UHFFFAOYSA-M
分子式: C24H26IOP
平均分子量: 488.3 g/mol
単同位体質量: 488.07660008

名称と識別子

優先名称: Triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]phosphonium iodide
IUPAC: oxan-4-ylmethyl(triphenyl)phosphanium iodide
英語名: Triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]phosphonium iodide
分子式: C24H26IOP
分子量: 488.35

名称と別名

745052-92-0Triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]phosphonium iodideTriphenyl((tetrahydro-2H-pyran-4-yl)methyl)phosphonium iodideoxan-4-ylmethyl(triphenyl)phosphanium;iodideMFCD14706698Phosphonium, triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]-, iodideTriphenyl(tetrahydropyran-4-ylmethyl)phosphonium iodideC24H26IOPSCHEMBL2414352XJEMHAHSQBWRGG-UHFFFAOYSA-MDTXSID601380605oxan-4-ylmethyl(triphenyl)phosphanium

名称をさらに表示

iodotriphenyl((tetrahydro-2H-pyran-4-yl)methyl)-l5-phosphane

AKOS028110003SY420428DB-012590CS-0028235F601161triphenyl(tetrahydropyran-4-ylmethyl)phosphonium;iodidetriphenyl(tetrahydropyran-4-ylmethyl)-phosphonium iodideiodotriphenyl((tetrahydro-2H-pyran-4-yl)methyl)phosphorane

データベース識別子

CAS: 745052-92-0
PubChem CID: 21094223
DTXSID: DTXSID601380605
EC Number: 616-106-0

物性

構造計算による物性

極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 27
形式電荷: 0
複雑度: 353

物理化学的性質

貯蔵温度: Store at room temperature
InChI: InChI=1S/C24H26OP.HI/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-25-19-17-21;/h1-15,21H,16-20H2;1H/q+1;/p-1
InChIKey: XJEMHAHSQBWRGG-UHFFFAOYSA-M
SMILES: [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC1CCOCC1.[I-]