Cas no 89296-57-1 (Hexanoic acid, 2-butyl-, iodomethyl ester)
89296-57-1 structure
Product Name:Hexanoic acid, 2-butyl-, iodomethyl ester
CAS No:89296-57-1
MF:C11H21IO2
MW:312.187716245651
CID:604986
PubChem ID:20429236
Update Time:2025-04-19
Hexanoic acid, 2-butyl-, iodomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-butyl-, iodomethyl ester
- iodomethyl 2-butylhexanoate
- DTXSID20606967
- SCHEMBL2182987
- 89296-57-1
- OMBCCTLOAOWOKT-UHFFFAOYSA-N
-
- Inchi： 1S/C11H21IO2/c1-3-5-7-10(8-6-4-2)11(13)14-9-12/h10H,3-9H2,1-2H3
- InChI Key： OMBCCTLOAOWOKT-UHFFFAOYSA-N
- SMILES： ICOC(C(CCCC)CCCC)=O
Computed Properties
- Exact Mass: 312.05863g/mol
- Monoisotopic Mass: 312.05863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 140
- 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: 4.8
- Topological Polar Surface Area: 26.3?2
Hexanoic acid, 2-butyl-, iodomethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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