3-羟基-2-((1R,6R)-3-甲基-6-(1-丙烯-2-基)-2-环己烯)-5-戊基-2,5-环己二烯-1,4-二酮 | 137252-25-6
中文名称:
3-羟基-2-((1R,6R)-3-甲基-6-(1-丙烯-2-基)-2-环己烯)-5-戊基-2,5-环己二烯-1,4-二酮
英文名称:
Cannabidiol Hydroxyquinone
CAS No.:
137252-25-6
分子式:
C2 1 H2 8 O3
分子量:
328.44522
名称和标识符
InChIKey
WDXXEUARVHTWQF-DLBZAZTESA-N
Inchi
InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
SMILES
CCCCCC1=CC(=O)C(=C(C1=O)O)[C@@H]2C=C(C)CC[C@H]2C(=C)C
别名信息
- 中文别名 -
3-羟基-2-((1R,6R)-3-甲基-6-(1-丙烯-2-基)-2-环己烯)-5-戊基-2,5-环己二烯-1,4-二酮
- 英文别名 -
2,5-Cyclohexadiene-1,4-dione,3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-
3-HYDROXY-2-((1R,6R)-3-METHYL-6-(PROP-1-EN-2-YL)CYCLOHEX-2-ENYL)-5-PENTYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
3-HYDROXY-2-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXENE-1-YL]-5-PENTYL-2,5-CYCLOHEXADIENE-1,4-DIONE
Cannabidiol Hydroxyquinone
HU-331
HU 331
SCHEMBL13609377
DTXSID10929758
2,5-CYCLOHEXADIENE-1,4-DIONE, 3-HYDROXY-2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-
AKOS030241459
HU331
VCE 004
3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
UNII-I7Q196L4AU
Cannabidiol hydroxyquinone (CBDHQ) 1000 microg/mL in Acetonitrile
J-006987
Cannabidiol hydroxyquinone
CBDHQ
CHEMBL4635276
CHEBI:197014
Q3825917
BDBM50541572
Cannabidiol hydroxyquinone (CBDHQ) 100 microg/mL in Acetonitrile
CCG-208732
SR-01000946715-1
I7Q196L4AU
2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-
SR-01000946715
Cannabidiol hydroxyquinone (CBDHQ)
FS-7319
HMS3649F22
137252-25-6
物化性质
实验特性
LogP
5.00560
PSA
54.37000
折射率
1.546
沸点
456°C at 760 mmHg
熔点
48-50°C
蒸气压
0.0±2.5 mmHg at 25°C
闪点
243.7°C
密度
1.091
计算特性
精确分子量
328.20400
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
6
同位素质量
328.204
重原子数量
24
复杂度
646
同位素原子数量
0
确定原子立构中心数量
2
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
5.2
拓扑分子极性表面积
54.4A^2
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3-羟基-2-((1R,6R)-3-甲基-6-(1-丙烯-2-基)-2-环己烯)-5-戊基-2,5-环己二烯-1,4-二酮推荐生产厂家
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