Cas no 88159-16-4 (Octadecanoic acid, 3-methoxy-)
Octadecanoic acid, 3-methoxy- structure
Product Name:Octadecanoic acid, 3-methoxy-
CAS No:88159-16-4
MF:C19H38O3
MW:314.50322675705
CID:642793
PubChem ID:71410429
Update Time:2025-04-19
Octadecanoic acid, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 3-methoxy-
- 3-methoxyoctadecanoic acid
- 3-methoxy octadecanoic acid
- SCHEMBL20471823
- 88159-16-4
- DTXSID80830105
-
- Inchi： 1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22-2)17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
- InChI Key： JUJCAQPDDRLQJE-UHFFFAOYSA-N
- SMILES： O(C)C(CC(=O)O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 314.28209507g/mol
- Monoisotopic Mass: 314.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 17
- Complexity: 241
- 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: 7.4
- Topological Polar Surface Area: 46.5?2
Octadecanoic acid, 3-methoxy- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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