Cas no 51886-28-3 (Heptane, 3-methyl-,didehydro deriv. (9CI))
51886-28-3 structure
Product Name:Heptane, 3-methyl-,didehydro deriv. (9CI)
Heptane, 3-methyl-,didehydro deriv. (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Heptane, 3-methyl-,didehydro deriv. (9CI)
- 3-METHYL-3-HEPTENE
- 3-methylheptane,didehydro derivative
- (E)-3-Methyl-3-heptene
- 3-Heptene, 3-methyl-, trans
- 51886-28-3
- CHEBI:88857
- 3-Methyl-3-heptene (cis,trans)
- MFCD00048796
- 2-Hexene, 2-ethyl
- AAUHUDBDDBJONC-BQYQJAHWSA-N
- (E)-3-Methylhept-3-ene
- 3-Heptene, 3-methyl-
- Q27160860
- 7300-03-0
- 3-Methyl-3-heptene (c,t)
-
- Inchi： 1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3/b8-7+
- InChI Key： AAUHUDBDDBJONC-BQYQJAHWSA-N
- SMILES： C(/C=C(\C)/CC)CC
Computed Properties
- Exact Mass: 112.12500
- Monoisotopic Mass: 112.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 70.1
- 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: 3.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 3.14280
Heptane, 3-methyl-,didehydro deriv. (9CI) Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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