Cas no 58443-89-3 (2,6-Octadecadiynoic acid, methyl ester)
58443-89-3 structure
Product Name:2,6-Octadecadiynoic acid, methyl ester
CAS No:58443-89-3
MF:C19H30O2
MW:290.440306186676
CID:342067
PubChem ID:71443585
Update Time:2025-04-19
2,6-Octadecadiynoic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadecadiynoic acid, methyl ester
- methyl octadeca-2,6-diynoate
- DTXSID80852408
- 58443-89-3
-
- Inchi： 1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-12,15-16H2,1-2H3
- InChI Key： XWVABVQASNMKPB-UHFFFAOYSA-N
- SMILES： O(C)C(C#CCCC#CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 290.2247
- Monoisotopic Mass: 290.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 383
- 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: 7.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2,6-Octadecadiynoic acid, methyl ester Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
58443-89-3 (2,6-Octadecadiynoic acid, methyl ester) Related Products
- 16205-90-6(Ethyl hex-2-ynoate)
- 111-80-8(Methyl 2-nonynoate)
- 10519-20-7(Ethyl 2-octynoate)
- 10519-17-2(2-Undecynoic acid,ethyl ester)
- 111-12-6(Methyl 2-octynoate)
- 10031-92-2(ethyl non-2-ynoate)
- 16930-95-3(Ethyl 2-heptynoate)
- 18937-79-6(Methyl 2-hexynoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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