Cas no 22663-11-2 (Oxiranenonanoic acid, 3,3-dimethyl-, methyl ester)
22663-11-2 structure
Product Name:Oxiranenonanoic acid, 3,3-dimethyl-, methyl ester
CAS No:22663-11-2
MF:C14H26O3
MW:242.354444980621
CID:1414132
PubChem ID:101374326
Update Time:2025-04-20
Oxiranenonanoic acid, 3,3-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Oxiranenonanoic acid, 3,3-dimethyl-, methyl ester
- 22663-11-2
- DTXSID101284060
- Methyl 3,3-dimethyl-2-oxiranenonanoate
-
- Inchi： 1S/C14H26O3/c1-14(2)12(17-14)10-8-6-4-5-7-9-11-13(15)16-3/h12H,4-11H2,1-3H3
- InChI Key： BCTAPLAZXKAENX-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCCC(=O)OC)C1(C)C
Computed Properties
- Exact Mass: 242.18828
- Monoisotopic Mass: 242.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 236
- 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: 3.6
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.83
Oxiranenonanoic acid, 3,3-dimethyl-, methyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
22663-11-2 (Oxiranenonanoic acid, 3,3-dimethyl-, methyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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