8-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1,4-ジオキサスピロ[4.5]デカ-7-エン

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene

HCID 3697076CAS 680596-79-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C
InChIKey: JCHWHOHZZYWUMP-UHFFFAOYSA-N
分子式: C14H23BO4
平均分子量: 266.14 g/mol
単同位体質量: 266.16893962

概要

See other relationships...

名称と識別子

優先名称: 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene
IUPAC: 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: 8-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1,4-ジオキサスピロ[4.5]デカ-7-エン
英語名: 1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid, pinacol ester
分子式: C14H23BO4
分子量: 266.14

名称と別名

8-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,4-DIOXASPIRO[4.5]DEC-7-ENEDTXSID603951868-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-eneRefChem:1074619DTXCID90346045680596-79-64,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid pinacol esterMFCD041156561,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

名称をさらに表示

8-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1,4-ジオキサスピロ[4.5]デカ-7-エン1,4-Dioxa-Spiro[4,5]Dec-7-En-8-Boronic Acid PinacoL1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PICOL ESTER(1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)BORONIC ACID PINACOL ESTER1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester 09011,4- dioxo spiro [4,5] decan -7- ene -8- borate pinacol ester8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspi...

2-{1,4-dioxaspiro[4.5]dec-7-en-8-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,4-Dioxaspiro[4.5]-7-decene-8-boronic Acid Pinacol EsterAC-24256T35661,4-Dioxaspiro[4.5]dec-7-en-8-boronic acid pinacol ester2-[1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

データベース識別子

CAS: 680596-79-6
PubChem CID: 3697076
DTXSID: DTXSID60395186

物性

構造計算による物性

極性表面積: 36.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 19
形式電荷: 0
複雑度: 380

物理化学的性質

融点: 60 · 60-62°C
沸点: 313.9 · 313.9±52.0 °C(Predicted)
比重(密度): 1.08 · 1.08±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: powder to crystal
色: White to Orange to Green
InChI: InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3
InChIKey: JCHWHOHZZYWUMP-UHFFFAOYSA-N
SMILES: O1C2(CCC(B3OC(C)(C)C(C)(C)O3)=CC2)OCC1