Cas no 50395-61-4 (6-Tetradecanone, 5-(phenylmethyl)-)
50395-61-4 structure
Product Name:6-Tetradecanone, 5-(phenylmethyl)-
CAS No:50395-61-4
MF:C21H34O
MW:302.49406671524
CID:364967
PubChem ID:71366602
Update Time:2025-04-19
6-Tetradecanone, 5-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Tetradecanone, 5-(phenylmethyl)-
- 5-benzyltetradecan-6-one
- 50395-61-4
- 5-benzyl-tetradecan-6-one
- DTXSID70789956
-
- Inchi： 1S/C21H34O/c1-3-5-7-8-9-13-17-21(22)20(16-6-4-2)18-19-14-11-10-12-15-19/h10-12,14-15,20H,3-9,13,16-18H2,1-2H3
- InChI Key： CKVFTQNWNDTNSE-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCC)C(CC1C=CC=CC=1)CCCC
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
6-Tetradecanone, 5-(phenylmethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Wan Lab Chip, 2020,20, 4528-4538
50395-61-4 (6-Tetradecanone, 5-(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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