Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-

HCID 215348

基本情報

CAS
35570-59-3
標準SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1
InChIKey
ZJNVIVRSORGHEF-UHFFFAOYSA-N
分子式
C23H34O2
平均分子量
342.5 g/mol
単同位体質量
342.25588033

名称と識別子

優先名称
Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-
IUPAC
4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol

名称と別名

BRN 122220335570-59-31,2,3,4-Tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)cyclopenta(c)(1)benzopyran-9-olCyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-RefChem:335843CHEMBL3276135SCHEMBL11734041SCHEMBL31546201DTXSID60956958ZJNVIVRSORGHEF-UHFFFAOYSA-N4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-ol4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][1]benzopyran
名称をさらに表示
4,4-Dimethyl-9-hydroxy-7-(3methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(1,2-dimethylheptyl)-1,2,3,4-tetrahydrocyclopenta[ c][l]benzopyran4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1]benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][ l] benzopyran

データベース識別子

CAS
35570-59-3
PubChem CID
215348
DTXSID
DTXSID60956958
ChEMBL
CHEMBL3276135

物性

構造計算による物性

XLogP
6.5
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
6
重原子数
25

関連反応

11 件

化合物ノート

読み込み中…