Cas no 19549-94-1 (1-Hepten-4-ol,2,4-dimethyl-)
1-Hepten-4-ol,2,4-dimethyl- structure
Product Name:1-Hepten-4-ol,2,4-dimethyl-
1-Hepten-4-ol,2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hepten-4-ol,2,4-dimethyl-
- 2,4-Dimethyl-1-hepten-4-ol
- 2,4-dimethylhept-1-en-4-ol
- LGIOTEKOCNBIKO-UHFFFAOYSA-N
- 19549-94-1
- SCHEMBL11652886
- AKOS006272923
- DTXSID80339562
-
- Inchi： 1S/C9H18O/c1-5-6-9(4,10)7-8(2)3/h10H,2,5-7H2,1,3-4H3
- InChI Key： LGIOTEKOCNBIKO-UHFFFAOYSA-N
- SMILES： OC(C)(CC(=C)C)CCC
Computed Properties
- Exact Mass: 142.13584
- Monoisotopic Mass: 142.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 118
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Hepten-4-ol,2,4-dimethyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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