Cas no 54657-08-8 (Acetic acid, (1R)-1-methylpropyl ester)
54657-08-8 structure
Product Name:Acetic acid, (1R)-1-methylpropyl ester
CAS No:54657-08-8
MF:C6H12O2
MW:116.158282279968
CID:353996
PubChem ID:6950754
Update Time:2025-04-19
Acetic acid, (1R)-1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (1R)-1-methylpropyl ester
- Q27282437
- Acetic acid (R)-sec-butyl ester
- sec-Butyl acetate, (-)-
- UNII-KU2W9MR8SY
- KU2W9MR8SY
- (-)-sec-Butyl acetate
- (2R)-2-Acetoxybutane
- SCHEMBL1214198
- 54657-08-8
- (-)-2-Butyl acetate
- sec-Butyl acetate L-form [MI]
- r-2-butyl acetate
-
- Inchi： 1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3/t5-/m1/s1
- InChI Key： DCKVNWZUADLDEH-RXMQYKEDSA-N
- SMILES： O(C(C)=O)[C@H](C)CC
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 78.6
- 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: 1.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Acetic acid, (1R)-1-methylpropyl ester Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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