Cas no 63987-88-2 (15-Docosene-1,3-diyn-5-one, (Z)-)
63987-88-2 structure
Product Name:15-Docosene-1,3-diyn-5-one, (Z)-
CAS No:63987-88-2
MF:C22H34O
MW:314.504766941071
CID:1664207
PubChem ID:71380613
Update Time:2025-04-21
15-Docosene-1,3-diyn-5-one, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 15-Docosene-1,3-diyn-5-one, (Z)-
- docos-15-en-1,3-diyn-5-one
- 63987-88-2
- Docos-15-ene-1,3-diyn-5-one
- DTXSID00803119
-
- Inchi： 1S/C22H34O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(23)20-6-4-2/h2,10-11H,3,5,7-9,12-19,21H2,1H3
- InChI Key： HPKFZCZHFHUKGU-UHFFFAOYSA-N
- SMILES： O=C(C#CC#C)CCCCCCCCCC=CCCCCCC
Computed Properties
- Exact Mass: 314.26112
- Monoisotopic Mass: 314.260965704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 421
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 8.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
15-Docosene-1,3-diyn-5-one, (Z)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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