Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate

HCID 15345545

基本信息

标准SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3=O)cc1
InChIKey
RCXZVAFZECFUGZ-UHFFFAOYSA-N
分子式
C23H22O3
平均分子量
346.4 g/mol

名称与标识

首选名称
Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
IUPAC
ethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate

名称与别名

SCHEMBL5737002RCXZVAFZECFUGZ-UHFFFAOYSA-N4(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)-benzoic acid ethyl esterethyl 4- [(5,6,7,8-tetrahydro-8,8-dimethyl -5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8,tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl )ethynyl]benzoateethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-vl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
展开更多名称
4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene -2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester

数据库标识

PubChem CID
15345545

性质

结构计算性质

XLogP
5.1
极性表面积
43.4 Ų
氢键供体
0
氢键受体
3
可旋转键
5
重原子
26

相关反应

102 条

关联笔记

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