Cas no 138568-27-1 (cyclobakuchiol B)
cyclobakuchiol B structure
Product Name:cyclobakuchiol B
CAS No:138568-27-1
MF:C18H24O
MW:256.382565498352
CID:2042005
PubChem ID:71342276
Update Time:2025-04-21
cyclobakuchiol B Chemical and Physical Properties
Names and Identifiers
-
- cyclobakuchiol B
- 4-(5-ethenyl-5-methyl-2-prop-1-en-2-ylcyclohexyl)phenol
- 4-[5-Ethenyl-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]phenol
- 138568-27-1
- DTXSID40769063
-
- Inchi： 1S/C18H24O/c1-5-18(4)11-10-16(13(2)3)17(12-18)14-6-8-15(19)9-7-14/h5-9,16-17,19H,1-2,10-12H2,3-4H3
- InChI Key： DUTYKARAVUNUBK-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C1CC(C=C)(C)CCC1C(=C)C
Computed Properties
- Exact Mass: 256.182715385g/mol
- Monoisotopic Mass: 256.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 338
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 20.2?2
cyclobakuchiol B Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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