Chemical ID: 4915890

CCOC(=O)C1=CC(CC1)C(C)CC(=O)CC(=O)O
Chemical ID:
4915890
Name [?]:
5-(3-ethoxycarbonyl-1-cyclopent-2-enyl)-3-oxo-hexanoic acid
SMILES [?]:
CCOC(=O)C1=CC(CC1)C(C)CC(=O)CC(=O)O
InChi [?]:
InChI=1/C14H20O5/c1-3-19-14(18)11-5-4-10(7-11)9(2)6-12(15)8-13(16)17/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,2,9,10,13,7,16,11,8,6,14,17,4,15,18,19,5,3/E:(16,17)/rA:19cCCOCOCCCCCCCCCOCCOO/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;s8;s11;s11;s13;d14;s14;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.08489
Area:486.59
Solvation:-5.07985
Coulombic:-50.0781
Bond Count [?]
All:19
Single:15
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:268.306
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.96
LogP (Chemaxon):2.11

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Descriptor Annotations

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