Cas no 1942-48-9 (5,7-Undecanedione)
5,7-Undecanedione structure
Product Name:5,7-Undecanedione
CAS No:1942-48-9
MF:C11H20O2
MW:184.275303840637
CID:2788397
PubChem ID:11446748
Update Time:2025-04-21
5,7-Undecanedione Chemical and Physical Properties
Names and Identifiers
-
- Undecane-5,7-dione
- DTXCID50416915
- 1942-48-9
- NNIUGFWCIDVDCZ-UHFFFAOYSA-N
- 5,7-undecanedione
- DTXSID50466096
- SCHEMBL534933
- 5,7-Undecanedione
-
- Inchi： 1S/C11H20O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h3-9H2,1-2H3
- InChI Key： NNIUGFWCIDVDCZ-UHFFFAOYSA-N
- SMILES： O=C(CC(CCCC)=O)CCCC
Computed Properties
- Exact Mass: 184.146329876Da
- Monoisotopic Mass: 184.146329876Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 143
- 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: 2.5
- Topological Polar Surface Area: 34.1?2
5,7-Undecanedione Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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