Cas no 6303-84-0 (4,4-dimethyl-1-phenylpentan-2-one)
6303-84-0 structure
Product Name:4,4-dimethyl-1-phenylpentan-2-one
CAS No:6303-84-0
MF:C13H18O
MW:190.281424045563
CID:1644360
PubChem ID:238515
Update Time:2025-04-21
4,4-dimethyl-1-phenylpentan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 4,4-dimethyl-1-phenylpentan-2-one
- Benzyl-(2.2-dimethylpropyl) keton
- AC1L6162
- CTK5B7215
- SureCN10906216
- AR-1F7895
- AKOS010312194
- AC1Q5H21
- Benzylneopentylketon
- NSC42892
- Benzylneopentylketon;
- DTXSID20285817
- SCHEMBL10906216
- 4,4-dimethyl-1-phenyl-pentan-2-one
- DS-014620
- 6303-84-0
- NSC-42892
-
- Inchi： 1S/C13H18O/c1-13(2,3)10-12(14)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
- InChI Key： GUGWJSWTOXBXTO-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)CC(C)(C)C
Computed Properties
- Exact Mass: 190.13600
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 182
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 3.23440
4,4-dimethyl-1-phenylpentan-2-one Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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