HCID3024116

Ethyl dimethylhexanoate

ethyl 2,2-dimethylhexanoate

C10H20O2172.26 g/molCAS 94247-76-4

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IDENTITY

结构与身份

标准SMILES: CCCCC(C)(C)C(=O)OCC
InChIKey: LFKWULYOKKJLPP-UHFFFAOYSA-N
分子式: C10H20O2
平均分子量: 172.26 g/mol
单同位素质量: 172.14632988

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 6
重原子: 12
形式电荷: 0
复杂度: 139

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Chemical: Hexanoic acid, dimethyl-, ethyl ester

Other Safety Information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: Hexanoic acid, dimethyl-, ethyl ester

ALIASES

名称与别名

共 15 条

Ethyl dimethylhexanoateEINECS 304-246-294247-76-4DTXSID50241269RefChem:138920DTXCID00163760304-246-2ethyl 2,2-dimethylhexanoateethyl 2,2-dimethylcaproateEthyl 2,2-dimethyl-caproateethyl 2,2-dimethyl-hexanoateSCHEMBL7941258SCHEMBL29283450AKOS006315960NS00040329

REACTIONS