Cas no 62536-88-3 (Phenol, 4-(1-methyl-2-pentenyl)-)
62536-88-3 structure
Product Name:Phenol, 4-(1-methyl-2-pentenyl)-
CAS No:62536-88-3
MF:C12H16O
MW:176.254843711853
CID:441280
PubChem ID:68840373
Update Time:2025-04-19
Phenol, 4-(1-methyl-2-pentenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(1-methyl-2-pentenyl)-
- 4-hex-3-en-2-ylphenol
- 62536-88-3
- DTXSID10739137
- 4-(Hex-3-en-2-yl)phenol
-
- Inchi： 1S/C12H16O/c1-3-4-5-10(2)11-6-8-12(13)9-7-11/h4-10,13H,3H2,1-2H3
- InChI Key： SGPYZVKQEGBRGD-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)C=CCC
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 4-(1-methyl-2-pentenyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
62536-88-3 (Phenol, 4-(1-methyl-2-pentenyl)-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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