Cas no 54951-59-6 (2-Octanone,3-(phenylmethylene)-)
54951-59-6 structure
Product Name:2-Octanone,3-(phenylmethylene)-
CAS No:54951-59-6
MF:C15H20O
MW:216.318704605103
CID:376654
PubChem ID:6365530
Update Time:2025-04-19
2-Octanone,3-(phenylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanone,3-(phenylmethylene)-
- (3E)-3-benzylideneoctan-2-one
- 3-(phenylmethylene)octan-2-one
- (3Z)-3-(phenylmethylidene)octan-2-one
- EINECS 259-410-5
- AEKMJNFNQGGLDT-NTCAYCPXSA-N
- 54951-59-6
- (E)-3-benzylideneoctan-2-one
- SCHEMBL2946252
-
- Inchi： 1S/C15H20O/c1-3-4-6-11-15(13(2)16)12-14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3/b15-12+
- InChI Key： AEKMJNFNQGGLDT-NTCAYCPXSA-N
- SMILES： O=C(C)/C(=C/C1C=CC=CC=1)/CCCCC
Computed Properties
- Exact Mass: 216.1515
- Monoisotopic Mass: 216.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 234
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Octanone,3-(phenylmethylene)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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