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Chemical ID: 4959284
Chemical ID:
4959284
Name [?]:
tetrahydrofuran-2-ylmethyl 2-ethylbutanoate
SMILES [?]:
CCC(CC)C(=O)OCC1CCCO1
InChi [?]:
InChI=1/C11H20O3/c1-3-9(4-2)11(12)14-8-10-6-5-7-13-10/h9-10H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,11,13,9,3,10,6,7,14,8/E:(1,2)(3,4)/rA:14cCCCCCCOOCCCCCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.8647 |
Area: | 400.643 |
Solvation: | -3.15137 |
Coulombic: | -26.9937 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 200.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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