Cas no 52636-92-7 (Octanoic acid, 2,2-dimethyl-, oxiranylmethyl ester)
52636-92-7 structure
Product Name:Octanoic acid, 2,2-dimethyl-, oxiranylmethyl ester
CAS No:52636-92-7
MF:C13H24O3
MW:228.327864646912
CID:359200
PubChem ID:33600
Update Time:2025-04-19
Octanoic acid, 2,2-dimethyl-, oxiranylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 2,2-dimethyl-, oxiranylmethyl ester
- oxiran-2-ylmethyl 2,2-dimethyloctanoate
- Glycidyl 2,2-dimethyloctanoate
- SCHEMBL284419
- QQWAKSKPSOFJFF-UHFFFAOYSA-N
- Cardura E 10P
- NS00073841
- Glydexx N 10
- 5V72X484L7
- Glycidyl neodecanoate
- neodecanoic acid, oxiranylmethyl ester;oxiran-2-ylmethyl 2,2-dimethyloctanoate;neodecanoic acid, oxiranylmethyl ester oxiran-2-ylmethyl 2,2-dimethyloctanoate
- Epoxide 248
- Cardura E 10
- Neodecanoic acid, 2,3-epoxypropyl ester
- Cardura E 10S
- 52636-92-7
- EC 247-979-2
- UNII-5V72X484L7
- 1-Propanol, 2,3-epoxy-, neodecanoate
- CARDURA E-10
- Q27262920
- DTXSID20275056
- 26761-45-5
- EINECS 247-979-2
- Neodecanoic acid, 2-oxiranylmethyl ester
- Glycidyl ester of neodecanoic acid
- CCRIS 2627
-
- Inchi： 1S/C13H24O3/c1-4-5-6-7-8-13(2,3)12(14)16-10-11-9-15-11/h11H,4-10H2,1-3H3
- InChI Key： QQWAKSKPSOFJFF-UHFFFAOYSA-N
- SMILES： O1CC1COC(C(C)(C)CCCCCC)=O
Computed Properties
- Exact Mass: 228.17262
- 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: 9
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.83
Octanoic acid, 2,2-dimethyl-, oxiranylmethyl ester Related Literature
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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