Cas no 31265-36-8 (2-Butyl-2-methyloctanoic acid)
2-Butyl-2-methyloctanoic acid structure
Product Name:2-Butyl-2-methyloctanoic acid
CAS No:31265-36-8
MF:C13H26O2
MW:214.344344615936
CID:2821586
PubChem ID:23264960
Update Time:2025-04-21
2-Butyl-2-methyloctanoic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID40631897
- SCHEMBL2202178
- 31265-36-8
- HXELWFIYBCHGMA-UHFFFAOYSA-N
- 2-BUTYL-2-METHYLOCTANOIC ACID
- 2-Butyl-2-methyloctanoic acid
-
- Inchi： 1S/C13H26O2/c1-4-6-8-9-11-13(3,12(14)15)10-7-5-2/h4-11H2,1-3H3,(H,14,15)
- InChI Key： HXELWFIYBCHGMA-UHFFFAOYSA-N
- SMILES： OC(C(C)(CCCC)CCCCCC)=O
Computed Properties
- Exact Mass: 214.193280068Da
- Monoisotopic Mass: 214.193280068Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 177
- 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: 5.2
- Topological Polar Surface Area: 37.3?2
2-Butyl-2-methyloctanoic acid Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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