1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid · CAS 1039673-32-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- CAS
- 1039673-32-9
- CID
- 75054962
- IUPAC 名称
- 1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- CAS
- 1039673-32-9
- CID
- 75054962
- IUPAC 名称
- 1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
分子属性
- 分子式
- C19H28O3
- 分子量
- 304.4 g/mol
- 精确质量
- 304.20384475 Da
- 单同位素质量
- 304.20384475 Da
- XLogP
- 3.9
- 极性表面积
- 54.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子数
- 22
- 净电荷
- 0
- 结构复杂度
- 519
结构标识
- InChIKey
- NBGCWDAYASHSEK-UHFFFAOYSA-N
- SMILES
- CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=O
- InChI
- InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)