Cas no 112853-91-5 (3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol)
112853-91-5 structure
Product Name:3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol
CAS No:112853-91-5
MF:C15H28O
MW:224.382225036621
CID:2609638
PubChem ID:71336816
Update Time:2025-04-21
3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol Chemical and Physical Properties
Names and Identifiers
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- 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol
- 3,4,4a,8,8-Pentamethyldecahydronaphthalen-2-ol
- 112853-91-5
- DTXSID50764589
-
- Inchi： 1S/C15H28O/c1-10-11(2)15(5)8-6-7-14(3,4)13(15)9-12(10)16/h10-13,16H,6-9H2,1-5H3
- InChI Key： MYQHXOMRMNETIU-UHFFFAOYSA-N
- SMILES： OC1C(C)C(C)C2(C)CCCC(C)(C)C2C1
Computed Properties
- Exact Mass: 224.214015512Da
- Monoisotopic Mass: 224.214015512Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 20.2?2
3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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