41720-62-1 ((3-R!)-2,2,6t-三甲基-6c-乙烯基-四氢-吡喃-3r-醇,(3-R!)-2,2,6t-Trimethyl-6c-vinyl-tetrahydro-pyran-3r-ol)

CAS号:
41720-62-1
中文名称:
(3-R!)-2,2,6t-三甲基-6c-乙烯基-四氢-吡喃-3r-醇
英文名称:
(3-R!)-2,2,6t-Trimethyl-6c-vinyl-tetrahydro-pyran-3r-ol
分子式:
C10H18O2
分子量:
170.248723506927

(3-R!)-2,2,6t-三甲基-6c-乙烯基-四氢-吡喃-3r-醇(41720-62-1)名称与标识符

名称

英文别名:
(3-R!)-2,2,6t-Trimethyl-6c-vinyl-tetrahydro-pyran-3r-ol;(3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydro-pyran-3-ol;(3R,6R)-Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol;(3R,6R)-tetrahydro-6-ethenyl-2,2,6-trimethyl-2H-pyuran-3-ol;(3R,6R)-tetrahydro-6-ethenyl-2,2,6-trimethyl-4H-pyran-3-ol;2,2,6-trimethyl-6-ethenyl-tetrahydro-2H-pyran-3-ol;2,2,6-trimethyl-6-ethenyltetrahydro-2H-pyran-3-ol;2,2,6-trimethyl-6-vinyl-tetrahydro-2H-pyran-3-ol;2,2,6-trimethyl-6-vinyltetrahydropyran-3-ol;3-hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran;6-ethenyl-2,2,6-trimethyl-3-hydroxytetrahydropyran;cis-2,6,6-Trimethyl-2-vinyl-5-hydroxy-tetrahydropyran;cis-linalool oxide;Linalool-monoxid;Pyranoid-linalool oxide;Linalool oxide (pyranoid) trans;trans-2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol;(E)-Linalool oxide (pyranoid);CHEBI:180233;E-Pyranoid linalool oxide;Linalool oxide pyranoid, trans-(-)-;Trans-pyranoid linalool oxide;Linalool oxide IV;SCHEMBL4962408;39028-58-5;trans-Linalool 3,7-oxide;TRANS-6-ETHENYLTETRAHYDRO-2,2,6-TRIMETHYLPYRAN-3-OL;41720-62-1;linalool oxide (trans, pyranoid);2H-PYRAN-3-OL, 6-ETHENYLTETRAHYDRO-2,2,6-TRIMETHYL-, TRANS-;FEMA NO. 4593, TRANS-(+/-)-;Trans-linalol oxide (pyranoid);2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R,6S)-;rel-(3R,6S)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol;6-Ethenyltetrahydro-2,2,6-trimethyl-(3R,6S)-rel-2H-Pyran-3-ol;FEMA No. 4593, trans-(-)-;2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R-trans)-;89JV2MJ158;Linalool oxide C;(E)-Linalol pyranoxide;Trans-pyran linalool oxide;7VCV9E83EL;DTXSID00194519;linalool oxide, trans-pyranoid;TRANS-3-HYDROXY-2,2,6-TRIMETHYL-6-VINYLTETRAHYDROPYRAN;LINALOOL OXIDE 4;(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol;2H-PYRAN-3-OL, 6-ETHENYLTETRAHYDRO-2,2,6-TRIMETHYL-, (3R,6S)-REL-;Cnidiol C;TRANS-6-VINYLTETRAHYDRO-2,2,6-TRIMETHYL-2H-PYRAN-3-OL;Linalool oxide pyranoid, trans-(+/-)-;linalool oxide IV (trans, pyranoid);UNII-7VCV9E83EL;Linalool oxide (trans-pyranoid);UNII-89JV2MJ158;PYRANOID LINALOOL OXIDE, TRANS;

标识符

InChIKey:
BCTBAGTXFYWYMW-UHFFFAOYSA-N
Inchi:
1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3
SMILES:
CC1(C(O)CCC(C=C)(C)O1)C

(3-R!)-2,2,6t-三甲基-6c-乙烯基-四氢-吡喃-3r-醇(41720-62-1)物化性质

计算特性

  • 精确分子量 : 170.130679813Da
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 170.130679813Da
  • 重原子数量 : 12
  • 复杂度 : 186
  • 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) : 1.4
  • 拓扑分子极性表面积 : 29.5Ų