Cas no 70391-75-2 (1,3-Hexadecanedione, 1-phenyl-)
70391-75-2 structure
Product Name:1,3-Hexadecanedione, 1-phenyl-
CAS No:70391-75-2
MF:C22H34O2
MW:330.504167079926
CID:1743323
PubChem ID:19900903
Update Time:2025-04-21
1,3-Hexadecanedione, 1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Hexadecanedione, 1-phenyl-
- 1-phenylhexadecane-1,3-dione
- KQ4QYX2AAL
- PYPCDBLMVZWDGV-UHFFFAOYSA-N
- CHEBI:230384
- 1-Benzoyl-2-pentadecanone
- UNII-KQ4QYX2AAL
- myristoylbenzoylmethane
- 1-Phenyl-1,3-hexadecanedione
- SCHEMBL670872
- DTXSID30601140
- 70391-75-2
-
- Inchi： 1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3
- InChI Key： PYPCDBLMVZWDGV-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1)=O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 330.25602
- Monoisotopic Mass: 330.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 15
- Complexity: 329
- 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: 7.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Hexadecanedione, 1-phenyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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