6-(1,2,3,4-Tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid

HCID 135754CAS 86471-16-1

基本情報

標準SMILES: CC1(C)CCC(C)(C)c2cc(-c3ccc4cc(C(=O)O)ccc4c3)ccc21
InChIKey: UHFICAKXFHFOCN-UHFFFAOYSA-N
分子式: C25H26O2
平均分子量: 358.5 g/mol
単同位体質量: 358.19328007

名称と識別子

優先名称: 6-(1,2,3,4-Tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid
IUPAC: 6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
英語名: 6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid
分子式: C25H26O2
分子量: 358.47

名称と別名

86471-16-16-(1,2,3,4-Tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acidDTXSID20235579(2,2'-Binaphthalene)-6-carboxylic acid, 5',6',7',8'-tetrahydro-5',5',8',8'-tetramethyl-[2,2'-Binaphthalene]-6-carboxylic acid, 5',6',7',8'-tetrahydro-5',5',8',8'-tetramethyl-RefChem:103955DTXCID00158070CHEMBL25361TTNN5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,2'-binaphthalene]-6-carboxylic acid5',6',7',8'-Tetrahydro-5',5',8',8'-tetramethyl(2,2'-binaphthalene)-6-carboxylic acid6-Ttnnc

名称をさらに表示

5',6',7',8'-Tetrahydro-5',5',8',8'-tetramethyl[2,2'-binaphthalene]-6-carboxylic acidCD 135SRI 5898-71RZ9P7E65QASCHEMBL2331952BDBM500482815',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro[2,2'-binaphthalene]-6-carboxylic acid6-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-naphthalenecar-boxylic acid

データベース識別子

CAS: 86471-16-1
PubChem CID: 135754
DTXSID: DTXSID20235579
ChEMBL: CHEMBL25361
UNII: RZ9P7E65QA
Nikkaji: J431.979F

物性

構造計算による物性

XLogP: 7.5
極性表面積: 37.3 Å²
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: 2
重原子数: 27
形式電荷: 0
複雑度: 563

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