Cas no 26266-68-2 (2-ethylhexenal)
2-ethylhexenal structure
Product Name:2-ethylhexenal
2-ethylhexenal Chemical and Physical Properties
Names and Identifiers
-
- 2-ethylhexenal
- Hexenal, 2-ethyl-
- CCRIS 4644
- PM 2015
- 2-ethylhex-2-enal
- (Z)-2-ethylhex-2-enal
- CHEMBL3181995
- DB-054689
- 2-ethyl-2-hex-enal
- NS00077503
- Q24735451
- E0123
- DTXSID4025296
- AKOS030253178
- SB85342
- MFCD00006983
- 2-Ethyl-2-hexenal
- 26266-68-2
- SY051350
-
- Inchi： 1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3
- InChI Key： PYLMCYQHBRSDND-UHFFFAOYSA-N
- SMILES： O=CC(CC)=CCCC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 103
- 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: 2.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-ethylhexenal Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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