Cas no 58879-39-3 (1-Dodecen-3-one)
1-Dodecen-3-one structure
Product Name:1-Dodecen-3-one
CAS No:58879-39-3
MF:C12H22O
MW:182.302484035492
CID:340542
PubChem ID:12804418
Update Time:2025-04-19
1-Dodecen-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1-Dodecen-3-one
- dodec-1-en-3-one
- 3-oxo-1-dodecene
- SY314197
- 58879-39-3
- MFCD02259813
- DTXSID60510276
- SCHEMBL811784
- LMFA12000162
-
- Inchi： 1S/C12H22O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4H,2-3,5-11H2,1H3
- InChI Key： HFIPGXZCEJXIAM-UHFFFAOYSA-N
- SMILES： O=C(C=C)CCCCCCCCC
Computed Properties
- Exact Mass: 182.16700
- Monoisotopic Mass: 182.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 138
- 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: 4.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 3.88220
1-Dodecen-3-one Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
58879-39-3 (1-Dodecen-3-one) Related Products
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