(+)-胡萝卜醇 | 465-28-1
(+)-胡萝卜醇
(+)-Carotol
465-28-1
C15H26O
222.36634
名称和标识符
InChIKey |
XZYQCFABZDVOPN-ILXRZTDVSA-N |
Inchi |
InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1 |
SMILES |
CC1=CC[C@]2(CC[C@H](C(C)C)[C@@]2(O)CC1)C |
别名信息
- 英文别名 -
- 3a(1H)-Azulenol,2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, (3R,3aS,8aR)-
- (3R)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol
- (3R,3aS,8aR)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol
- (+)-Carotol
- 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3α,3aα,8aα)]-
- 3aα(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3α-isopropyl-6,8aα-dimethyl-, (+)-
- Carotol, (+)-
- cis-Dauc-8-en-5β
- -ol
- -ol (Carotol)
- CAROTOL [MI]
- DTXSID101318114
- (+)-8-Daucen-5-ol
- 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, (3R-(3alpha,3aalpha,8aalpha))-
- (3R,3AS,8AR)-2,3,4,5,8,8A-HEXAHYDRO-6,8A-DIMETHYL-3-(1-METHYLETHYL)-3A(1H)-AZULENOL
- NT5C9M36DE
- NS00113997
- 3aalpha(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3alpha-isopropyl-6,8aalpha-dimethyl-, (+)-
- CHEBI:3431
- 465-28-1
- LMPR0103550001
- UNII-NT5C9M36DE
- 3A(1H)-AZULENOL, 2,3,4,5,8,8A-HEXAHYDRO-6,8A-DIMETHYL-3-(1-METHYLETHYL)-, (3R,3AS,8AR)-
- Carotol
- Q5045553
- SCHEMBL6514107
- C09628
- XZYQCFABZDVOPN-UHFFFAOYSA-N
- cis-Dauc-8-en-5beta -ol (Carotol)
- NSC147750
- 3a.alpha.(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3.alpha.-isopropyl-6,8a.alpha.-dimethyl-, (+)-
- NSC403111
- NSC-403111
- DTXSID70871643
- SCHEMBL11031851
- 6,8a-Dimethyl-3-(propan-2-yl)-2,3,4,5,8,8a-hexahydroazulen-3a(1H)-ol
- NSC-147750
- 3-Isopropyl-6,8a-dimethyl-2,3,4,5,8,8a-hexahydro-3a(1H)-azulenol #
- cis-Dauc-8-en-5.beta.-ol
物化性质
实验特性
PSA |
20.23 |
折射率 |
nD20 1.4964 |
沸点 |
bp2.5 126° |
闪点 |
126.1°C |
比旋光度 |
D20 +30.4° |
密度 |
d20 0.9624 |
计算特性
精确分子量 |
222.19848 |
氢键供体数量 |
1 |
氢键受体数量 |
1 |
可旋转化学键数量 |
1 |
同位素质量 |
222.198 |
重原子数量 |
16 |
复杂度 |
305 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
3.6 |
拓扑分子极性表面积 |
20.2Ų |
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