Cas no 18346-83-3 (Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI))
18346-83-3 structure
Product Name:Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI)
CAS No:18346-83-3
MF:C26H32O2
MW:376.531087875366
CID:231419
PubChem ID:433767
Update Time:2025-04-19
Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI)
- 4-(3-methylbutanoyl)-3,5-diphenyl-2-propan-2-ylcyclohexan-1-one
- NSC-338009
- NSC338009
- 18346-83-3
- DTXSID50330945
-
- Inchi: 1S/C26H32O2/c1-17(2)15-22(27)26-21(19-11-7-5-8-12-19)16-23(28)24(18(3)4)25(26)20-13-9-6-10-14-20/h5-14,17-18,21,24-26H,15-16H2,1-4H3
- InChI Key: PMEIYUNEINNLCA-UHFFFAOYSA-N
- SMILES: O=C1CC(C2C=CC=CC=2)C(C(CC(C)C)=O)C(C2C=CC=CC=2)C1C(C)C
Computed Properties
- Exact Mass: 376.24036
- Monoisotopic Mass: 376.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 523
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI) Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
18346-83-3 (Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI)) Related Products
- 34993-51-6((R)-3-Phenyl-cyclohexanone)
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 4894-75-1(4-phenylcyclohexan-1-one)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
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