Cas no 111013-41-3 (Octanoic acid, iodomethyl ester)
111013-41-3 structure
Product Name:Octanoic acid, iodomethyl ester
CAS No:111013-41-3
MF:C9H17IO2
MW:284.134555578232
CID:1196178
PubChem ID:15135433
Update Time:2025-04-20
Octanoic acid, iodomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, iodomethyl ester
- iodomethyl octanoate
- ZYUZNFLSNNYTHG-UHFFFAOYSA-N
- SCHEMBL355564
- 111013-41-3
- DTXSID40568816
-
- Inchi： 1S/C9H17IO2/c1-2-3-4-5-6-7-9(11)12-8-10/h2-8H2,1H3
- InChI Key： ZYUZNFLSNNYTHG-UHFFFAOYSA-N
- SMILES： ICOC(CCCCCCC)=O
Computed Properties
- Exact Mass: 284.02691
- Monoisotopic Mass: 284.02733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 115
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Octanoic acid, iodomethyl ester Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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