HCID12329

Dimethyladipate

dimethyl hexanedioate

C8H14O4174.19 g/molCAS 627-93-0

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)CCCCC(=O)OC
InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N
分子式: C8H14O4
平均分子量: 174.19 g/mol
单同位素质量: 174.08920892

COMPUTED

结构计算性质

等待补全

XLogP: 1
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 7
重原子: 12
形式电荷: 0
复杂度: 135

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 81 条

DimethyladipateRefChem:134217Dimethyl adipate627-93-0Dimethyl hexanedioateAdipic acid dimethyl esterHEXANEDIOIC ACID, DIMETHYL ESTERAdipic acid, dimethyl ester1,6-DimethylhexanedioateMFCD000084691,6-dimethyl hexanedioateDBE 6hexanedioic acid dimethyl esterDTXSID8025096Adipic acid-dimethyl esteradipinic acid dimethyl esterDibasicestersBY71RX0R62NSC-11213Hexanedioic acid, 1,6-dimethyl ester

REACTIONS

参与反应

29 条

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04129520

查看

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04156702

查看

uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04895926

查看

uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06316606B1

查看

uspto-grants-1989_12 · 10.6084/m9.figshare.5104873.v1 · US04885383

查看

uspto-grants-1978_02 · 10.6084/m9.figshare.5104873.v1 · US04075234

查看

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08236996B2

查看

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看