Cas no 89579-46-4 (Heptanoic acid, 2,2-dipentyl-, methyl ester)
89579-46-4 structure
Product Name:Heptanoic acid, 2,2-dipentyl-, methyl ester
CAS No:89579-46-4
MF:C18H36O2
MW:284.477246284485
CID:595759
PubChem ID:71325052
Update Time:2025-04-19
Heptanoic acid, 2,2-dipentyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2,2-dipentyl-, methyl ester
- methyl 2,2-dipentylheptanoate
- 89579-46-4
- DTXSID60754451
-
- Inchi： 1S/C18H36O2/c1-5-8-11-14-18(17(19)20-4,15-12-9-6-2)16-13-10-7-3/h5-16H2,1-4H3
- InChI Key： MIOXNECHMWOWTD-UHFFFAOYSA-N
- SMILES： O(C)C(C(CCCCC)(CCCCC)CCCCC)=O
Computed Properties
- Exact Mass: 284.271530387g/mol
- Monoisotopic Mass: 284.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 209
- 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: 7.5
- Topological Polar Surface Area: 26.3?2
Heptanoic acid, 2,2-dipentyl-, methyl ester Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
89579-46-4 (Heptanoic acid, 2,2-dipentyl-, methyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 2177-77-7(Methyl 2-methylvalerate)
- 29412-62-2(dimethyl cubane-1,4-dicarboxylate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 711-01-3(1-Adamantanecarboxylic Acid Methyl Ester)
- 868-57-5(DL-2-Methylbutyric Acid Methyl Ester)
- 32980-26-0(4-Methoxy-3,3-dimethyl-4-oxobutanoic acid)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 4630-80-2(Methyl cyclopentanecarboxylate)
- 597-71-7(Pentaerythritol tetraacetate)
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