Cas no 116173-40-1 (6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-2,3-dihydro-1H-inden-1-one)
116173-40-1 structure
Product Name:6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-2,3-dihydro-1H-inden-1-one
CAS No:116173-40-1
MF:C15H20O2
MW:232.318104743958
CID:2059784
PubChem ID:640551
Update Time:2025-04-21
6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-2,3-dihydro-1H-inden-1-one Chemical and Physical Properties
Names and Identifiers
-
- 6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-2,3-dihydro-1H-inden-1-one
- 6-Hydroxyprimnatrienone
- 116173-40-1
- InChI=1/C15H20O2/c1-8(2)10-6-12(16)9(3)13-11(10)7-15(4,5)14(13)17/h6,8,16H,7H2,1-5H
- 1H-inden-1-one, 2,3-dihydro-6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-
- DTXSID00348757
- 6-hydroxy-4-isopropyl-2,2,7-trimethylindan-1-one
-
- Inchi： 1S/C15H20O2/c1-8(2)10-6-12(16)9(3)13-11(10)7-15(4,5)14(13)17/h6,8,16H,7H2,1-5H3
- InChI Key： PXPLKAZFXQCPKW-UHFFFAOYSA-N
- SMILES： O=C1C2C(C)=C(C=C(C(C)C)C=2CC1(C)C)O
Computed Properties
- Exact Mass: 232.146329876g/mol
- Monoisotopic Mass: 232.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 319
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 37.3?2
6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-2,3-dihydro-1H-inden-1-one Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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