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2-Ethylbutyl isobutyrate,2-Ethylbutyl 2-methylpropanoate, 2-ethylbutyl

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摘 要:2-Ethylbutyl isobutyrate,2-Ethylbutyl 2-methylpropanoate, 2-ethylbutyl 2-methylpropanoate,Canonical SMILES: CCC(CC)COC(=O)C(C)C,InChI: InChI=1/C10H20O2/c1-5-9(6-2)7-12-10(11)8(3)4/h8-9H,5-7H2,1-4H3,Molecular Weight172.2646 [g/mol]Molecular FormulaC10
[Synonyms]
2-Ethylbutyl isobutyrate
2-Ethylbutyl 2-methylpropanoate

[Structure]
2-Ethylbutyl isobutyrate,2-Ethylbutyl 2-methylpropanoate, 2-ethylbutyl

[ Properties Computed from Structure]
Molecular Weight172.2646 [g/mol]
Molecular FormulaC10H20O2
XLogP3
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count6
Exact Mass172.14633
MonoIsotopic Mass172.14633
Topological Polar Surface Area26.3
Heavy Atom Count12
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-ethylbutyl 2-methylpropanoate
Canonical SMILES: CCC(CC)COC(=O)C(C)C
InChI: InChI=1/C10H20O2/c1-5-9(6-2)7-12-10(11)8(3)4/h8-9H,5-7H2,1-4H3

 
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