1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester

HCID 567526CAS 57133-55-8

基本情報

標準SMILES: CCOC(=O)CC1CCCCC12OCCO2
InChIKey: RQCRKRWTYLZRSX-UHFFFAOYSA-N
分子式: C12H20O4
平均分子量: 228.28 g/mol
単同位体質量: 228.13615912

名称と識別子

優先名称: 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
IUPAC: ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate

名称と別名

57133-55-8ethyl 2-{1,4-dioxaspiro[4.5]decan-6-yl}acetate1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl esterethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetateSCHEMBL3388688DTXSID60340797HCA13355EN300-170390Ethyl 1,4-dioxaspiro[4.5]dec-6-ylacetate #Ethyl (1,4-dioxaspiro[4.5]decan-6-yl)acetateethyl2-{1,4-dioxaspiro[4.5]decan-6-yl}acetate(1,4-dioxaspiro[4.5]dec-6-yl)acetic acid ethyl ester

名称をさらに表示

(+/-)-6-(ethoxycarbonylmethyl)-1,4-dioxaspiro[4.5]decane

データベース識別子

CAS: 57133-55-8
PubChem CID: 567526
DTXSID: DTXSID60340797

物性

構造計算による物性

XLogP: 1.5
極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 245