Chemical ID: 4969621

CCC(CCOCC)C(=O)O
Chemical ID:
4969621
Name [?]:
4-ethoxy-2-ethyl-butanoic acid
SMILES [?]:
CCC(CCOCC)C(=O)O
InChi [?]:
InChI=1/C8H16O3/c1-3-7(8(9)10)5-6-11-4-2/h7H,3-6H2,1-2H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,2,7,4,5,3,9,10,11,6/E:(9,10)/rA:11cCCCCCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.64791
Area:348.324
Solvation:-3.0602
Coulombic:-33.9199
Bond Count [?]
All:10
Single:9
Double:1
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:160.211
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.2
LogP (Chemaxon):1.29

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Descriptor Annotations

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