Cas no 13927-47-4 (3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-)
13927-47-4 structure
Product Name:3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-
CAS No:13927-47-4
MF:C13H20O
MW:192.297304153442
CID:1265250
PubChem ID:1757002
Update Time:2025-04-20
3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-
- (3E,5Z)-6,10-Dimethyl-3,5,9-undecatrien-2-one
- cis-ψ-Ionone
- 13927-47-4
- 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (3E,5Z)-
- cis-.psi.-Ionone
- (3E,5Z)-6,10-Dimethyl-3,5,9-undecatrien-2-one #
- FEMA No. 4299, (3E,5Z)-
- (E,Z)-Pseudoionone
- (3E,5Z)-6,10-dimethylundeca-3,5,9-trien-2-one
- Q27272331
- Pseudoionone, (3E,5Z)-
- UNII-9BXY7HLV2L
- cis-psi-Ionone
- 3-trans-5-cis-Pseudoionone
- JXJIQCXXJGRKRJ-CQJQESKGSA-N
- SCHEMBL15820994
- DTXSID60859273
- 9BXY7HLV2L
- (3E,5Z)-pseudoionone
-
- Inchi： 1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9-
- InChI Key： JXJIQCXXJGRKRJ-CQJQESKGSA-N
- SMILES： O=C(C)/C=C/C=C(/C)\CC/C=C(\C)/C
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
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
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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