Cas no 79734-43-3 (2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-)
![2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]- structure](https://ossimg.kuujia.com/scimg/80000/79734-43-3x500.png)
79734-43-3 structure
Product Name:2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-
CAS No:79734-43-3
MF:C13H18O2
MW:206.280824184418
CID:532139
Update Time:2024-01-30
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]- Chemical and Physical Properties
Names and Identifiers
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- 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-
- 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-
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- Inchi： 1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+
- InChI Key： MLYOGKJJENFVJN-AATRIKPKSA-N
- SMILES： C1(=O)CC(C)(C)C(/C=C/C(=O)C)C(C)=C1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 346
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.6
- Tautomer Count: 31
- Surface Charge: 0
Experimental Properties
- Density: 1.020±0.06 g/cm3(Predicted)
- Boiling Point: 319.6±42.0 °C(Predicted)
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
79734-43-3 (2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-) Related Products
- 2244-16-8((S)-(+)-Carvone)
- 719-22-2(2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione)
- 32388-55-9(Acetylcedrene (~80%))
- 3602-55-9(2-tert-Butyl-1,4-benzoquinone)
- 78-59-1(Isophorone)
- 6485-40-1((R)-(-)-Carvone)
- 473-08-5((+)-a-Cyperone)
- 2460-77-7(2,5-Di-tert-butyl-1,4-benzoquinone)
- 601-57-0(Δ4-Cholesten-3-one)
- 4674-50-4(Nootkatone)
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