Cas no 50902-82-4 (3-Ethyl-3-methylhexanoic acid)
3-Ethyl-3-methylhexanoic acid structure
Product Name:3-Ethyl-3-methylhexanoic acid
CAS No:50902-82-4
MF:C9H18O2
MW:158.238023281097
CID:2829525
PubChem ID:53425649
Update Time:2025-04-21
3-Ethyl-3-methylhexanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 50902-82-4
- SCHEMBL11922837
- 3-ETHYL-3-METHYLHEXANOIC ACID
- DTXSID30698934
- APIWHOUUMCIHFT-UHFFFAOYSA-N
- 3-Ethyl-3-methylhexanoic acid
-
- Inchi： 1S/C9H18O2/c1-4-6-9(3,5-2)7-8(10)11/h4-7H2,1-3H3,(H,10,11)
- InChI Key： APIWHOUUMCIHFT-UHFFFAOYSA-N
- SMILES： OC(CC(C)(CC)CCC)=O
Computed Properties
- Exact Mass: 158.130679813Da
- Monoisotopic Mass: 158.130679813Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 132
- 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: 3.1
- Topological Polar Surface Area: 37.3?2
3-Ethyl-3-methylhexanoic acid Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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