Cas no 50902-76-6 (Butanoic acid, 2,2,3,3-tetramethyl-, methyl ester)
50902-76-6 structure
Product Name:Butanoic acid, 2,2,3,3-tetramethyl-, methyl ester
CAS No:50902-76-6
MF:C9H18O2
MW:158.238023281097
CID:363806
PubChem ID:12418869
Update Time:2025-04-19
Butanoic acid, 2,2,3,3-tetramethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,2,3,3-tetramethyl-, methyl ester
- methyl 2,2,3,3-tetramethylbutanoate
- 50902-76-6
- SCHEMBL2616407
- DTXSID70497403
-
- Inchi： 1S/C9H18O2/c1-8(2,3)9(4,5)7(10)11-6/h1-6H3
- InChI Key： NQKKMXZMTBLTDS-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 158.13074
- Monoisotopic Mass: 158.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 151
- 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: 2.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Butanoic acid, 2,2,3,3-tetramethyl-, methyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
50902-76-6 (Butanoic acid, 2,2,3,3-tetramethyl-, methyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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