Cas no 20303-60-0 (beta-Elemenone)
beta-Elemenone structure
Product Name:beta-Elemenone
CAS No:20303-60-0
MF:C15H22O
MW:218.334584712982
CID:1392694
PubChem ID:10955018
Update Time:2024-02-29
beta-Elemenone Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone,5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S,5S)-
- (4S)-trans-β-elemenone
- [4S,(+)]-2-Isopropylidene-4β-isopropenyl-5α-vinyl-5-methylcyclohexanone
- beta-Elemenone
- (4S,5S)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one
- trans-.beta.-Elemenone
- LMPR0103080001
- Q67879721
- 2BH58WTU7X
- DTXSID701318217
- (4S,5S)-5-Ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)cyclohexanone
- Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S,5S)-
- (4S)-trans-beta-Elemenone
- CHEBI:169732
- beta-Elemenone, (4S)-trans-
- ABLPGPHZENVRRH-DZGCQCFKSA-N
- Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S-trans)-
-
- Inchi： 1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15+/m0/s1
- InChI Key： ABLPGPHZENVRRH-DZGCQCFKSA-N
- SMILES： O=C1/C(=C(\C)/C)/C[C@@H](C(=C)C)[C@@](C=C)(C)C1
Computed Properties
- Exact Mass: 218.167065321 g/mol
- Monoisotopic Mass: 218.167065321 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 369
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 17.1
- Molecular Weight: 218.33
beta-Elemenone Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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