Cas no 78012-16-5 (2,5-Heptadien-4-one, 2,3,6-trimethyl-)
78012-16-5 structure
Product Name:2,5-Heptadien-4-one, 2,3,6-trimethyl-
CAS No:78012-16-5
MF:C10H16O
MW:152.233443260193
CID:535117
PubChem ID:12937382
Update Time:2025-04-19
2,5-Heptadien-4-one, 2,3,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Heptadien-4-one, 2,3,6-trimethyl-
- 2,3,6-trimethylhepta-2,5-dien-4-one
- DTXSID10513434
- 78012-16-5
-
- Inchi： 1S/C10H16O/c1-7(2)6-10(11)9(5)8(3)4/h6H,1-5H3
- InChI Key： IYWYSQOBCVTBAF-UHFFFAOYSA-N
- SMILES： O=C(/C=C(\C)/C)/C(/C)=C(\C)/C
Computed Properties
- Exact Mass: 152.120115130g/mol
- Monoisotopic Mass: 152.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 17.1?2
2,5-Heptadien-4-one, 2,3,6-trimethyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
78012-16-5 (2,5-Heptadien-4-one, 2,3,6-trimethyl-) Related Products
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