Cas no 54934-56-4 (3-Methyl-heptadecansaeure-methylester)
54934-56-4 structure
Product Name:3-Methyl-heptadecansaeure-methylester
CAS No:54934-56-4
MF:C19H38O2
MW:298.503826618195
CID:2016957
PubChem ID:554170
Update Time:2025-04-21
3-Methyl-heptadecansaeure-methylester Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-heptadecansaeure-methylester
- Methyl-3-methylheptadecanoat
- 3-Methylheptadecanoic acid methyl ester
- methyl 3-methylheptadecanoate
- DTXSID50339170
- DB-357227
- DTXCID50290252
- 3-methylheptade-canoic acid methyl ester
- Heptadecanoic acid, 3-methyl-, methyl ester
- 54934-56-4
-
- Inchi： 1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19(20)21-3/h18H,4-17H2,1-3H3
- InChI Key： PJSCLYQYZMWJFQ-UHFFFAOYSA-N
- SMILES： O(C)C(CC(C)CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 298.287180451g/mol
- 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: 8.4
- Topological Polar Surface Area: 26.3?2
3-Methyl-heptadecansaeure-methylester Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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