Cas no 62356-04-1 (5-Octenoic acid, 7-methyl-)
5-Octenoic acid, 7-methyl- structure
Product Name:5-Octenoic acid, 7-methyl-
CAS No:62356-04-1
MF:C9H16O2
MW:156.222143173218
CID:448055
PubChem ID:6442575
Update Time:2025-04-19
5-Octenoic acid, 7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Octenoic acid, 7-methyl-
- (E)-7-methyloct-5-enoic Acid
- trans-7-Methyl-5-octenoic acid
- 61229-06-9
- SCHEMBL2209155
- 62356-04-1
- SCHEMBL2209161
- 5-Octenoic acid, 7-methyl-, (E)-
-
- Inchi: 1S/C9H16O2/c1-8(2)6-4-3-5-7-9(10)11/h4,6,8H,3,5,7H2,1-2H3,(H,10,11)/b6-4+
- InChI Key: UZMDRLPRUQGXMQ-GQCTYLIASA-N
- SMILES: OC(CCC/C=C/C(C)C)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 137
- 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: 2.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
5-Octenoic acid, 7-methyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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