Cas no 16021-12-8 (Butanoic acid,2-(1,1-dimethylethyl)-2,3,3-trimethyl-)
16021-12-8 structure
Product Name:Butanoic acid,2-(1,1-dimethylethyl)-2,3,3-trimethyl-
CAS No:16021-12-8
MF:C11H22O2
MW:186.291183948517
CID:223485
PubChem ID:299480
Update Time:2025-04-19
Butanoic acid,2-(1,1-dimethylethyl)-2,3,3-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-(1,1-dimethylethyl)-2,3,3-trimethyl-
- 2-tert-butyl-2,3,3-trimethylbutanoic acid
- 2.2.3.4.4-Pentamethyl-pentan-carbonsaeure-(3)
- 2-tert-Butyl-2,3,3-trimethyl-buttersaeure
- 2-tert-butyl-2,3,3-trimethyl-butyric acid
- AC1L6UOP
- acide trimethyl-2,3,3 t-butyl-2 butyrique
- Methyl-di-tert.-butyl-essigsaeure
- NSC172553
- DTXSID70305897
- SCHEMBL847022
- 16021-12-8
- NSC-172553
-
- Inchi： 1S/C11H22O2/c1-9(2,3)11(7,8(12)13)10(4,5)6/h1-7H3,(H,12,13)
- InChI Key： LVAGKFXWQHOSOQ-UHFFFAOYSA-N
- SMILES： OC(C(C)(C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 186.16206
- Monoisotopic Mass: 186.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 3.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 3.16950
Butanoic acid,2-(1,1-dimethylethyl)-2,3,3-trimethyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
16021-12-8 (Butanoic acid,2-(1,1-dimethylethyl)-2,3,3-trimethyl-) Related Products
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- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
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- 124-83-4((1R,3S)-Camphoric Acid)
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- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 828-51-3(Adamantane-1-carboxylic acid)
- 99-66-1(Valproic acid)
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