HCID519331

1,3-Dimethyl-5-ethyladamantane

1-ethyl-3,5-dimethyladamantane

C14H24192.34 g/molCAS 1687-35-0

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IDENTITY

结构与身份

标准SMILES: CCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIKey: FTNPDAKMYKMVKB-UHFFFAOYSA-N
分子式: C14H24
平均分子量: 192.34 g/mol
单同位素质量: 192.18780077

COMPUTED

结构计算性质

已同步

XLogP: 5.6
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 247

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1313；1279；1279；1291；1303；1313；1279；1279

1252；1263；1267；1276；1287；1263；1267；1276；1285；1321

1406；1421；1441

ALIASES

名称与别名

共 10 条

1,3-Dimethyl-5-ethyladamantane5-Ethyl-1,3-dimethyladamantaneRefChem:218755FTNPDAKMYKMVKB-UHFFFAOYSA-N1-Ethyl-3,5-dimethyladamantane1687-35-0SCHEMBL19401531,3-Dimethyl-5-ethyl AdamantaneDTXSID7013374591-Ethyl-3,5-dimethyladamantane #

REACTIONS

参与反应

3 条

uspto-grants-1991_10 · 10.6084/m9.figshare.5104873.v1 · US05061703

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uspto-grants-1991_10 · 10.6084/m9.figshare.5104873.v1 · US05061703

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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