Cas no 56116-35-9 (1-Butanol, 2-ethyl-3-methyl-, (S)-)
56116-35-9 structure
Product Name:1-Butanol, 2-ethyl-3-methyl-, (S)-
CAS No:56116-35-9
MF:C7H16O
MW:116.201342582703
CID:349750
PubChem ID:15178736
Update Time:2025-04-19
1-Butanol, 2-ethyl-3-methyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanol, 2-ethyl-3-methyl-, (S)-
- DTXSID80569665
- SCHEMBL101919
- 56116-35-9
- (2S)-2-Ethyl-3-methylbutan-1-ol
-
- Inchi： 1S/C7H16O/c1-4-7(5-8)6(2)3/h6-8H,4-5H2,1-3H3/t7-/m1/s1
- InChI Key： OXFFPTMSBXBVLZ-SSDOTTSWSA-N
- SMILES： OC[C@@H](CC)C(C)C
Computed Properties
- Exact Mass: 116.12018
- Monoisotopic Mass: 116.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 50.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Butanol, 2-ethyl-3-methyl-, (S)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
56116-35-9 (1-Butanol, 2-ethyl-3-methyl-, (S)-) Related Products
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- 100-49-2(Cyclohexanemethanol)
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