Cas no 63060-52-6 (Octadecanoic acid, 4-methyl-)
Octadecanoic acid, 4-methyl- structure
Product Name:Octadecanoic acid, 4-methyl-
CAS No:63060-52-6
MF:C19H38O2
MW:298.503826618195
CID:427288
PubChem ID:361947
Update Time:2025-04-19
Octadecanoic acid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 4-methyl-
- 4-methyloctadecanoic acid
- 63060-52-6
- CHEBI:179624
- DTXSID00326994
- NSC-625432
- RFKPYBOOPHCXSY-UHFFFAOYSA-N
- CHEMBL1997500
- LMFA01020215
- 4-methyl-octadecanoic acid
- 4-Methyl-octadecansaure
- 4-Methyloctadecanoic acid #
- NCI60_007839
- NSC625432
- SCHEMBL3623541
-
- Inchi： 1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
- InChI Key： RFKPYBOOPHCXSY-UHFFFAOYSA-N
- SMILES： OC(CCC(C)CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 298.28734
- Monoisotopic Mass: 298.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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: 8.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Octadecanoic acid, 4-methyl- Related Literature
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
63060-52-6 (Octadecanoic acid, 4-methyl-) Related Products
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- 97-61-0(2-Methyl-pentanoic Acid)
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- 503-74-2(Isovaleric acid)
- 1703-58-8(1,2,3,4-Butanetetracarboxylic acid)
- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 99-66-1(Valproic acid)
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