Cas no 42218-25-7 (docosyl heptadecanoate)
docosyl heptadecanoate structure
Product Name:docosyl heptadecanoate
CAS No:42218-25-7
MF:C39H78O2
MW:579.035433292389
CID:2355880
PubChem ID:89704
Update Time:2025-04-21
docosyl heptadecanoate Chemical and Physical Properties
Names and Identifiers
-
- docosyl heptadecanoate
- 42218-25-7
- DTXCID80227233
- DTXSID30275865
- FSOWIQTZALIXKC-UHFFFAOYSA-N
- behenyl heptadecanoate
-
- Inchi： 1S/C39H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-41-39(40)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
- InChI Key： FSOWIQTZALIXKC-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 578.60018173g/mol
- Monoisotopic Mass: 578.60018173g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 41
- Rotatable Bond Count: 37
- Complexity: 474
- 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: 19
- Tautomer Count: nothing
- Surface Charge: 0
- Topological Polar Surface Area: 26.3?2
docosyl heptadecanoate Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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