Cas no 89296-59-3 (Octanoic acid, 2-hexyl-, iodomethyl ester)
89296-59-3 structure
Product Name:Octanoic acid, 2-hexyl-, iodomethyl ester
CAS No:89296-59-3
MF:C15H29IO2
MW:368.29403758049
CID:604984
PubChem ID:20429250
Update Time:2025-04-19
Octanoic acid, 2-hexyl-, iodomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 2-hexyl-, iodomethyl ester
- iodomethyl 2-hexyloctanoate
- DTXSID40606969
- KJZHMMJJDBXUAS-UHFFFAOYSA-N
- 89296-59-3
- SCHEMBL2181954
-
- Inchi： 1S/C15H29IO2/c1-3-5-7-9-11-14(15(17)18-13-16)12-10-8-6-4-2/h14H,3-13H2,1-2H3
- InChI Key： KJZHMMJJDBXUAS-UHFFFAOYSA-N
- SMILES： ICOC(C(CCCCCC)CCCCCC)=O
Computed Properties
- Exact Mass: 368.12123g/mol
- Monoisotopic Mass: 368.12123g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 183
- 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: 7
- Topological Polar Surface Area: 26.3?2
Octanoic acid, 2-hexyl-, iodomethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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