HIT ID: HIT212658999
Cas No: 8000-41-7
分子式: C40H72O4
分子量: 617.012
常用名: Terpineol
氢键受体数 (HBA): 1
氢键供体数 (HBD): 1
LogP: 2.2322311
IUPAC: 1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol; 1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol; 2-(4-methylidenecyclohexyl)propan-2-ol; 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol
IUPAC: 1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol; 1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol; 2-(4-methylidenecyclohexyl)propan-2-ol; 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol
SMILES: [#6]\[#6](-[#6])=[#6]-1\[#6]-[#6]C([#6])([#8])[#6]-[#6]-1.[#6]-[#6](=[#6])-[#6]-1-[#6]-[#6]C([#6])([#8])[#6]-[#6]-1.[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6]-[#6]-1)C([#6])([#6])[#8].[#6]C([#6])([#8])[#6]-1-[#6]-[#6]-[#6](=[#6])-[#6]-[#6]-1 |t:23|
SMILES: [#6]\[#6](-[#6])=[#6]-1\[#6]-[#6]C([#6])([#8])[#6]-[#6]-1.[#6]-[#6](=[#6])-[#6]-1-[#6]-[#6]C([#6])([#8])[#6]-[#6]-1.[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6]-[#6]-1)C([#6])([#6])[#8].[#6]C([#6])([#8])[#6]-1-[#6]-[#6]-[#6](=[#6])-[#6]-[#6]-1 |t:23|
InChI key: YHBMRMXDATWKHX-NRYJBHHQSA-N
