Cas no 40710-34-7 (Methyl pentacontanoate)
Methyl pentacontanoate structure
Product Name:Methyl pentacontanoate
CAS No:40710-34-7
MF:C51H102O2
MW:747.354397296906
CID:2667713
PubChem ID:546868
Update Time:2024-02-29
Methyl pentacontanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl pentacontanoate
- Pentacontanoic acid methyl ester
- Pentacontanoic acid, methyl ester
- LYZSDFGZGSQRQT-UHFFFAOYSA-N
- Methyl pentacontanoate
-
- Inchi： 1S/C51H102O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51(52)53-2/h3-50H2,1-2H3
- InChI Key： LYZSDFGZGSQRQT-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 746.78798249g/mol
- Monoisotopic Mass: 746.78798249g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 53
- Rotatable Bond Count: 49
- Complexity: 644
- 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: 26.3
- Topological Polar Surface Area: 26.3
Methyl pentacontanoate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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