Chemical ID: 4959284

CCC(CC)C(=O)OCC1CCCO1
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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