CAS 15323-35-0|1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one|1-(1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one|1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)eth...

基本信息

化学结构

分子式

C₁₇H₂₄O

分子量

244.37186

精确质量

244.18271539

电荷

InChI

InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3

InChIKey

VDBHOHJWUDKDRW-UHFFFAOYSA-N

Canonic Smiles

CC1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C

Isomeric Smiles

c12c(C(C(C1(C)C)C)(C)C)cc(c(c2)C(=O)C)C

计算属性

JChem

Acid pKa

16.29641

质子受体

质子供体

LogD (pH = 5.5)

4.5131516

LogD (pH = 7.4)

4.5131516

Log P

4.5131516

摩尔折射率

76.9792

极化性

29.704546

极化表面积

17.07

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

1-(1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethanoneAHDIAHMI6-Acetyl-1,1,2,3,3,5-hexamethylindane1-(2,3-Dihydro-1,1,2,3,3,6-hexamethyl-1H-inden-5-yl)ethanoneNSC 168271,1,2,3,3,6-Hexamethyl-5-indanyl methyl KetonePhantolideMusk phantolidPhantolid6-Acetyl-1,1,2,3,3,5-hexamethylindan

IUPAC传统名

1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone

IUPAC标准名

1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one

名称和标识

数据登录号

MDL号

MFCD00451399

CAS号

15323-35-0

PubChem SID

162031717