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(R) - (+) -Ethyl Leucate

CAT: 0024-sc-496766Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-496766Size:100 mg
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CAS Number
60856-83-9

Chemical Information

Ethyl 2-hydroxy-4-methylvalerate, (2R)-
CAS Number60856-83-9
PubChem CID10909860
IUPAC Nameethyl (2R)-2-hydroxy-4-methylpentanoate
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP1.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
CCOC(=O)[C@@H](CC(C)C)O
InChI
InChI=1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1
InChIKey
QRHOWVDPHIXNEN-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-hydroxy-4-methylvalerate, (2R)-
CAS: 60856-83-9
CID: 10909860
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes