Cas no 57566-98-0 (Perforaton)
Perforaton structure
Product Name:Perforaton
CAS No:57566-98-0
MF:C15H22Br2O
MW:378.142583370209
CID:2003670
PubChem ID:12068480
Update Time:2025-04-21
Perforaton Chemical and Physical Properties
Names and Identifiers
-
- Perforaton
- Perforatone
- (2aR,3S,4aR,5R,6S,8S,8aS)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta(i)inden-7-one
- (2aS,3S,4aR,5R,6S,8R,8aR)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta(i)inden-7-one
- 57566-98-0
- (2aS,3R,4aR,5R,6S,8R,8aR)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta(i)inden-7-one
- (2aS,3S,4aR,5R,6S,8R,8aR)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta[i]inden-7-one
- (2aS,3R,4aR,5R,6S,8R,8aR)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta[i]inden-7-one
- (2aR,3S,4aR,5R,6S,8S,8aS)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta[i]inden-7-one
-
- Inchi： 1S/C15H22Br2O/c1-8-11(17)12(18)9(2)15-6-5-13(15,3)10(16)7-14(8,15)4/h8-11H,5-7H2,1-4H3
- InChI Key： DZASHWYZXQVNJH-UHFFFAOYSA-N
- SMILES： CC1C23C(CC2)(C)C(Br)CC3(C)C(C)C(Br)C1=O
Computed Properties
- Exact Mass: 378.00169Da
- Monoisotopic Mass: 376.00374Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 423
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.709
- Topological Polar Surface Area: 17.1?2
Perforaton Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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