Cas no 918399-22-1 (1,3-Cycloheptanedione, 2-methyl-2-(3-oxopentyl)-)
918399-22-1 structure
Product Name:1,3-Cycloheptanedione, 2-methyl-2-(3-oxopentyl)-
CAS No:918399-22-1
MF:C13H20O3
MW:224.296104431152
CID:777003
PubChem ID:15981838
Update Time:2025-04-19
1,3-Cycloheptanedione, 2-methyl-2-(3-oxopentyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cycloheptanedione, 2-methyl-2-(3-oxopentyl)-
- 2-methyl-2-(3-oxopentyl)cycloheptane-1,3-dione
- 918399-22-1
- DTXSID00580610
-
- Inchi： 1S/C13H20O3/c1-3-10(14)8-9-13(2)11(15)6-4-5-7-12(13)16/h3-9H2,1-2H3
- InChI Key： LTTMMOQNYKBVKI-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(C1(C)CCC(CC)=O)=O
Computed Properties
- Exact Mass: 224.14124450g/mol
- Monoisotopic Mass: 224.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 286
- 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: 51.2?2
1,3-Cycloheptanedione, 2-methyl-2-(3-oxopentyl)- Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
918399-22-1 (1,3-Cycloheptanedione, 2-methyl-2-(3-oxopentyl)-) Related Products
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- 5405-79-8(2,2-Dimethyl-3-hexanone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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