Cas no 50395-62-5 (7-Tetradecanone, 8-(phenylmethyl)-)
50395-62-5 structure
Product Name:7-Tetradecanone, 8-(phenylmethyl)-
CAS No:50395-62-5
MF:C21H34O
MW:302.49406671524
CID:364966
PubChem ID:71366601
Update Time:2025-04-19
7-Tetradecanone, 8-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 7-Tetradecanone, 8-(phenylmethyl)-
- 8-benzyltetradecan-7-one
- 50395-62-5
- DTXSID10789955
-
- Inchi： 1S/C21H34O/c1-3-5-7-12-16-20(18-19-14-10-9-11-15-19)21(22)17-13-8-6-4-2/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3
- InChI Key： SMWWXHUOXQBWFV-UHFFFAOYSA-N
- SMILES： O=C(CCCCCC)C(CC1C=CC=CC=1)CCCCCC
Computed Properties
- Exact Mass: 302.26112
- Monoisotopic Mass: 302.260965704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
7-Tetradecanone, 8-(phenylmethyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
50395-62-5 (7-Tetradecanone, 8-(phenylmethyl)-) Related Products
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 1134-87-8(3-Benzyl-2,4-pentanedione)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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