Cas no 89027-58-7 (Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)-)
89027-58-7 structure
Product Name:Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)-
CAS No:89027-58-7
MF:C21H32O
MW:300.478186607361
CID:615391
PubChem ID:71321580
Update Time:2025-04-19
Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)-
- 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenol
- 89027-58-7
- 4-(4-Heptylbicyclo[2.2.2]octan-1-yl)phenol
- DTXSID60751384
-
- Inchi: 1S/C21H32O/c1-2-3-4-5-6-11-20-12-15-21(16-13-20,17-14-20)18-7-9-19(22)10-8-18/h7-10,22H,2-6,11-17H2,1H3
- InChI Key: YEXPVMFFJVJLBF-UHFFFAOYSA-N
- SMILES: OC1C=CC(=CC=1)C12CCC(CCCCCCC)(CC1)CC2
Computed Properties
- Exact Mass: 300.245315640g/mol
- Monoisotopic Mass: 300.245315640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 315
- 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: 8.3
- Topological Polar Surface Area: 20.2?2
Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
89027-58-7 (Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)-) Related Products
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- 140-66-9(4-Tert-Octylphenol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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