Cas no 55194-06-4 (Dodecanoic acid, 1-methylhexyl ester)
55194-06-4 structure
Product Name:Dodecanoic acid, 1-methylhexyl ester
CAS No:55194-06-4
MF:C19H38O2
MW:298.503826618195
CID:352617
PubChem ID:19006652
Update Time:2025-04-19
Dodecanoic acid, 1-methylhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid, 1-methylhexyl ester
- heptan-2-yl dodecanoate
- 55194-06-4
- SCHEMBL8023354
- 1-methylhexyl dodecanoate
- DTXSID70597311
-
- Inchi： 1S/C19H38O2/c1-4-6-8-9-10-11-12-13-15-17-19(20)21-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3
- InChI Key： GQDYTVZBBZKSIZ-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)C(C)CCCCC
Computed Properties
- Exact Mass: 298.28734
- Monoisotopic Mass: 298.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Dodecanoic acid, 1-methylhexyl ester Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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