(+)-3-(Benzyloxy)-6(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one

HCID 12992125

基本情報

標準SMILES
O=C1C=C(OCc2ccccc2)CCC1C1(O)CCC2(CC1)OCCO2
InChIKey
NWQVBOVAOKWAHT-UHFFFAOYSA-N
分子式
C21H26O5
平均分子量
358.4 g/mol

名称と識別子

優先名称
(+)-3-(Benzyloxy)-6(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one
IUPAC
6-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylmethoxycyclohex-2-en-1-one

名称と別名

SCHEMBL5356469NWQVBOVAOKWAHT-UHFFFAOYSA-N(+)-3-(Benzyloxy)-6(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one(+/-)-3-(Benzyloxy)-6(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one(+/-)-3-(Benzyloxy)-6-(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one(+/-)-3-(Benzyloxy)-6-(8hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one(+/-)-3-Benzyloxy-6(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one(+/-)-3-Benzyloxy-6-(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)-2-cyclohexen-1-one

データベース識別子

PubChem CID
12992125

物性

構造計算による物性

XLogP
2
極性表面積
65 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
4
重原子数
26

関連反応

11 件

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