Cas no 64935-38-2 (2-Octenal, 2-butyl-, (E)-)
2-Octenal, 2-butyl-, (E)- structure
Product Name:2-Octenal, 2-butyl-, (E)-
CAS No:64935-38-2
MF:C12H22O
MW:182.302484035492
CID:411705
PubChem ID:5352696
Update Time:2025-04-19
2-Octenal, 2-butyl-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octenal, 2-butyl-, (E)-
- (E)-2-butyloct-2-enal
- 49D14RAJ7M
- UNII-49D14RAJ7M
- 2-butyl-2-octenal (Z)
- 2-Butyl-2-octenal, (2E)-
- 528869X357
- 64935-38-2
- LYGMPIZYNJGJKP-ZRDIBKRKSA-N
- 2-Octenal, 2-butyl, (E)-
- 2-Octenal, 2-butyl-, (2E)-
- 2-Hexylidenehexanal, E-
- 2-butyl-2-octenal (E)
- DTXSID501314164
- (2E)-2-butyl-2-octenal
- SCHEMBL730612
- 2-BUTYL-2-OCTENAL
- (E)-2-butyl-2-octenal
- FEMA no. 4616, E-
- Q27260976
- UNII-528869X357
-
- Inchi： 1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10+
- InChI Key： LYGMPIZYNJGJKP-ZRDIBKRKSA-N
- SMILES： O=C/C(=C/CCCCC)/CCCC
Computed Properties
- Exact Mass: 182.167065321g/mol
- Monoisotopic Mass: 182.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 147
- 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: 4.5
- Topological Polar Surface Area: 17.1?2
2-Octenal, 2-butyl-, (E)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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