Cas no 62883-59-4 (Hexanoic acid, 2-methyl-2-(1-methylethyl)-, oxiranylmethyl ester)
62883-59-4 structure
Product Name:Hexanoic acid, 2-methyl-2-(1-methylethyl)-, oxiranylmethyl ester
CAS No:62883-59-4
MF:C13H24O3
MW:228.327864646912
CID:390486
PubChem ID:71373682
Update Time:2025-04-19
Hexanoic acid, 2-methyl-2-(1-methylethyl)-, oxiranylmethyl ester Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid, 2-methyl-2-(1-methylethyl)-, oxiranylmethyl ester
- oxiran-2-ylmethyl 2-methyl-2-propan-2-ylhexanoate
- 62883-59-4
- DTXSID80796499
- (Oxiran-2-yl)methyl 2-methyl-2-(propan-2-yl)hexanoate
-
- Inchi： 1S/C13H24O3/c1-5-6-7-13(4,10(2)3)12(14)16-9-11-8-15-11/h10-11H,5-9H2,1-4H3
- InChI Key： XDDNOOHVBZGXKN-UHFFFAOYSA-N
- SMILES： O(CC1CO1)C(C(C)(CCCC)C(C)C)=O
Computed Properties
- Exact Mass: 228.17254462g/mol
- Monoisotopic Mass: 228.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 237
- 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: 3.4
- Topological Polar Surface Area: 38.8?2
Hexanoic acid, 2-methyl-2-(1-methylethyl)-, oxiranylmethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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