Cas no 487041-44-1 (2,2'-(Ethane-1,2-diyl)bis(3-methylcyclopent-2-en-1-one))
487041-44-1 structure
Product Name:2,2'-(Ethane-1,2-diyl)bis(3-methylcyclopent-2-en-1-one)
CAS No:487041-44-1
MF:C14H18O2
MW:218.291524410248
CID:2650170
PubChem ID:71362758
Update Time:2025-04-21
2,2'-(Ethane-1,2-diyl)bis(3-methylcyclopent-2-en-1-one) Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-2-[2-(2-methyl-5-oxocyclopenten-1-yl)ethyl]cyclopent-2-en-1-one
- DTXSID70786364
- 487041-44-1
- 2,2'-(Ethane-1,2-diyl)bis(3-methylcyclopent-2-en-1-one)
-
- Inchi： 1S/C14H18O2/c1-9-3-7-13(15)11(9)5-6-12-10(2)4-8-14(12)16/h3-8H2,1-2H3
- InChI Key： FLZQBRAJEAHJIR-UHFFFAOYSA-N
- SMILES： O=C1CCC(C)=C1CCC1C(CCC=1C)=O
Computed Properties
- Exact Mass: 218.130679813Da
- Monoisotopic Mass: 218.130679813Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 34.1?2
2,2'-(Ethane-1,2-diyl)bis(3-methylcyclopent-2-en-1-one) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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