Chemical ID: 4958129

CCCCC(CC)C(=O)OCCCCC1CCCO1
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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