2(3H)-萘酮,4,4a,5,6-四氢-4a-甲基- | 10271-07-5
2(3H)-萘酮,4,4a,5,6-四氢-4a-甲基-
2(3H)-Naphthalenone,4,4a,5,6-tetrahydro-4a-methyl-
10271-07-5
C11H14O
162.22826
名称和标识符
InChIKey |
NBMYMYDUONUXAL-UHFFFAOYSA-N |
Inchi |
InChI=1S/C11H14O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2,4,8H,3,5-7H2,1H3 |
SMILES |
CC12CCC=CC1=CC(=O)CC2 |
别名信息
- 英文别名 -
- 2(3H)-Naphthalenone,4,4a,5,6-tetrahydro-4a-methyl-
- 4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
- 4,4a,5,6-tetrahydro-4a-methyl-2(3H)-naphthalenone
- 4'a-methyl-3',4',4'a,5',6',7'-hexahydro-1'H-spiro[[1,3]dioxolane-2,2'-naphthalene]
- 4a'-methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
- 4a-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
- 4a-Methyl-4,4a,5,6-tetrahydro-3H-naphthalin-2-on
- AC1L6P0Q
- AC1Q700C
- AG-J-42799
- AR-1G0430
- CTK4G9486
- NSC113122
- NSC-126324
- 4a-methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one
- NBMYMYDUONUXAL-UHFFFAOYSA-N
- 4a-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
- SCHEMBL10434541
- InChI=1/C11H14O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2,4,8H,3,5-7H2,1H
- NSC126324
- 10271-07-5
物化性质
实验特性
LogP |
2.63200 |
PSA |
17.07 |
折射率 |
1.531 |
沸点 |
291.9°C at 760 mmHg |
闪点 |
115.9°C |
密度 |
1.03 |
计算特性
精确分子量 |
162.10452 |
氢键供体数量 |
0 |
氢键受体数量 |
1 |
可旋转化学键数量 |
0 |
同位素质量 |
162.104 |
重原子数量 |
12 |
复杂度 |
273 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
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) |
2.1 |
拓扑分子极性表面积 |
17.1Ų |
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