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Chemical ID: 4957650
Chemical ID:
4957650
Name [?]:
2-ethylbutyl 2-methylpentanoate
SMILES [?]:
CCCC(C)C(=O)OCC(CC)CC
InChi [?]:
InChI=1/C12H24O2/c1-5-8-10(4)12(13)14-9-11(6-2)7-3/h10-11H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,14,5,2,11,13,3,9,4,10,6,7,8/E:(2,3)(6,7)/rA:14cCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;s10;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.09827 |
Area: | 412.332 |
Solvation: | -1.21004 |
Coulombic: | -20.9111 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 200.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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