HCID17008

Methyl 4-methylvalerate

methyl 4-methylpentanoate

C7H14O2130.18 g/molCAS 2412-80-8

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IDENTITY

结构与身份

标准SMILES: COC(=O)CCC(C)C
InChIKey: KBCOVKHULBZKNY-UHFFFAOYSA-N
分子式: C7H14O2
平均分子量: 130.18 g/mol
单同位素质量: 130.09937969

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 9
形式电荷: 0
复杂度: 86

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 42 条

METHYL 4-METHYLPENTANOATEMethyl 4-methylvalerate2412-80-8Methyl isocaproateMethyl isohexanoatePentanoic acid, 4-methyl-, methyl esterMethyl isobutylacetateValeric acid, 4-methyl-, methyl estermethyl 4-methyl valerateFEMA No. 2721J4R2BY5GJT4-methylpentanoic acid methyl esterEINECS 219-320-9DTXSID0062393METHYL 4-METHYLVALERATE [FHFI]Methyl isobutyl acetateRefChem:816549DTXCID7037008219-320-92412-24-1

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07132437B2

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uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05217985

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uspto-grants-1992_03 · 10.6084/m9.figshare.5104873.v1 · US05098920

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