Cas no 64282-29-7 (Isosacculatal)
Isosacculatal structure
Product Name:Isosacculatal
CAS No:64282-29-7
MF:C20H30O2
MW:302.451006412506
CID:517176
PubChem ID:14285717
Update Time:2024-03-01
Isosacculatal Chemical and Physical Properties
Names and Identifiers
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- 1,2-Naphthalenedicarboxaldehyde,1,4,4a,5,6,7,8,8a-octahydro-5,8a-dimethyl-5-(4-methyl-3-penten-1-yl)-,(1S,4aS,5S,8aS)-
- (1S)-1,4,4aα,5,6,7,8,8a-Octahydro-5,8aβ-dimethyl-5α-(4-methyl-3-pentenyl)-1α,2-naphthalenedicarbaldehyde
- 1,2-Naphthalenedicarboxaldehyde,1,4,4a,5,6,7,8,8a-octahydro-5,8a-dimethyl-5-(4-methyl-3-pentenyl)-, [1S-(1a,4aa,5a,8ab)]-
- 1,2-Naphthalenedicarboxaldehyde,1,4,4a,5,6,7,8,8a-octahydro-5,8a-dimethyl-5-(4-methyl-3-pentenyl)-,(1S,4aS,5S,8aS)- (9CI)
- Isosacculatal
- (1S,4AS,5S,8AS)-5BETA,8ABETA-DIMETHYL-1ALPHA,2-DIFORMYL-5AALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA)-OCTAHYDRONAPHTHALENE
- DTXSID701346719
- 64282-29-7
-
- Inchi： 1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18+,19-,20-/m1/s1
- InChI Key： CJRSLLMDIKKFIM-IYWMVGAKSA-N
- SMILES： O=C[C@@H]1C(C=O)=CC[C@H]2[C@](C)(CC/C=C(\C)/C)CCC[C@@]21C
Computed Properties
- Exact Mass: 302.224580195g/mol
- Monoisotopic Mass: 302.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 498
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1
- XLogP3: 5.2
Isosacculatal Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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