Cas no 169892-08-4 (3,10-Tridecadiene-2,12-dione, (E,E)-)
169892-08-4 structure
Product Name:3,10-Tridecadiene-2,12-dione, (E,E)-
CAS No:169892-08-4
MF:C13H20O2
MW:208.296704292297
CID:1351402
PubChem ID:71353614
Update Time:2025-04-20
3,10-Tridecadiene-2,12-dione, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 3,10-Tridecadiene-2,12-dione, (E,E)-
- trideca-3,10-diene-2,12-dione
- DTXSID60778339
- 169892-08-4
-
- Inchi: 1S/C13H20O2/c1-12(14)10-8-6-4-3-5-7-9-11-13(2)15/h8-11H,3-7H2,1-2H3
- InChI Key: IQXNZTPVORQCIX-UHFFFAOYSA-N
- SMILES: O=C(C)C=CCCCCCC=CC(C)=O
Computed Properties
- Exact Mass: 208.1464
- Monoisotopic Mass: 208.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
3,10-Tridecadiene-2,12-dione, (E,E)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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