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Chemical ID: 4958129
Chemical ID:
4958129
Name [?]:
4-tetrahydrofuran-2-ylbutyl 2-ethylhexanoate
SMILES [?]:
CCCCC(CC)C(=O)OCCCCC1CCCO1
InChi [?]:
InChI=1/C16H30O3/c1-3-5-9-14(4-2)16(17)19-12-7-6-10-15-11-8-13-18-15/h14-15H,3-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,13,12,17,4,14,16,11,18,5,15,8,9,19,10/rA:19cCCCCCCCCOOCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H30O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5143 |
Area: | 534.173 |
Solvation: | -2.84005 |
Coulombic: | -28.3108 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 270.408 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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