Cas no 61827-10-9 (Oxiraneundecanoic acid, 3-pentyl-)
61827-10-9 structure
Product Name:Oxiraneundecanoic acid, 3-pentyl-
CAS No:61827-10-9
MF:C18H34O3
MW:298.46076631546
CID:465199
PubChem ID:14475141
Update Time:2025-04-19
Oxiraneundecanoic acid, 3-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxiraneundecanoic acid, 3-pentyl-
- 11-(3-pentyloxiran-2-yl)undecanoic acid
- CHEMBL281921
- DTXSID20560757
- SCHEMBL3125556
- BDBM50280207
- 11-(3-Pentyl-oxiranyl)-undecanoic acid
- 61827-10-9
- 12,13-epoxyoctadecanoic acid
-
- Inchi: 1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
- InChI Key: AHXFZOAYPPCFEB-UHFFFAOYSA-N
- SMILES: O1C(CCCCC)C1CCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 298.25092
- Monoisotopic Mass: 298.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.83
Oxiraneundecanoic acid, 3-pentyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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