HCID567489

1,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-methylbenzenesulfonate)

1,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonate

C15H20O5S312.4 g/molCAS 23511-05-9

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)OC2CCC3(CC2)OCCO3)cc1
InChIKey: OWOKCUXVMOFUSP-UHFFFAOYSA-N
分子式: C15H20O5S
平均分子量: 312.4 g/mol
单同位素质量: 312.10314491

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 70.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 431

ALIASES

名称与别名

共 29 条

23511-05-91,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-methylbenzenesulfonate)1,4-Dioxaspiro(4.5)decan-8-ol, 8-(4-methylbenzenesulfonate)RefChem:2207601,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonateMFCD184294611,4-Dioxaspiro[4.5]decan-8-ol 4-methylbenzenesulfonate1,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzene-1-sulfonate8-tosyloxy-1,4-dioxaspiro[4,5]decane1,4-Dioxaspiro[4.5]dec-8-yl 4-methylbenzenesulfonate1,4-dioxaspiro[4.5]decan-8-yl4-methylbenzenesulfonatetoluene-4-sulfonic acid 1,4-dioxa-spiro[4.5]dec-8-yl ester1,4-Dioxaspiro[4.5]decan-8-ol, p-toluenesulfonateSCHEMBL565372DTXSID20340793XH09518-Tosyloxy-1,4-dioxaspiro[4.5]decaneBS-27901SY333159DB-121199

REACTIONS

参与反应

36 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723450

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713474B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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uspto-grants-1984_08 · 10.6084/m9.figshare.5104873.v1 · US04466977

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660744B1

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660744B1

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