Cas no 65416-28-6 (3-Hexenyl 3-methylisocrotonate)
65416-28-6 structure
Product Name:3-Hexenyl 3-methylisocrotonate
CAS No:65416-28-6
MF:C11H18O2
MW:182.259423732758
CID:513490
PubChem ID:20838768
Update Time:2025-04-19
3-Hexenyl 3-methylisocrotonate Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexenyl 3-methylisocrotonate
- HEXENYL-CIS-3-SENECIOATE
- Einecs 265-766-2
- 3-methyl-, 3-hexenyl ester, (z)-2-butenoic aci
- AKOS006238783
- DTXSID40886764
- (Z)-hex-3-en-1-yl 3-methylbut-2-enoate
- 2-Butenoic acid, 3-methyl-, (3Z)-3-hexenyl ester
- cis-3-hexenylsenecioat
- 2-Butenoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester
- 65416-28-6
-
- Inchi： 1S/C11H18O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
- InChI Key： NIWIFUKCMGYZHJ-WAYWQWQTSA-N
- SMILES： O(C(/C=C(\C)/C)=O)CC/C=C\CC
Computed Properties
- Exact Mass: 182.13100
- Monoisotopic Mass: 182.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 2.85210
3-Hexenyl 3-methylisocrotonate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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