Cas no 20799-05-7 (Ethyldienedione)
Ethyldienedione structure
Product Name:Ethyldienedione
CAS No:20799-05-7
MF:C19H24O2
MW:284.392665863037
CID:51658
PubChem ID:13303834
Update Time:2025-04-18
Ethyldienedione Chemical and Physical Properties
Names and Identifiers
-
- Ethyldienedione
- Methylestradienedione
- D(-)-18-Methyl-estra-4,9-diene-3,17-dione
- dl-18-Methyl-4.9-oestradien-3.17-dion
- 20799-05-7
- SCHEMBL11117142
- (8S,13S,14S)-13-ethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
-
- Inchi： 1S/C19H24O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,16-17H,2-10H2,1H3/t16-,17+,19+/m1/s1
- InChI Key： AZLYZQJFFGOZPA-AOIWGVFYSA-N
- SMILES： O=C1CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3CC[C@@]21CC)=O
Computed Properties
- Exact Mass: 284.17800
- Monoisotopic Mass: 284.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 580
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14000
- LogP: 4.15160
Ethyldienedione Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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