Chemical ID: 4557013

CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C
Chemical ID:
4557013
Name [?]:
None
SMILES [?]:
CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C
InChi [?]:
InChI=1/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,19,14,3,4,10,9,2,18,5,11,6,16,7,8,12,17,13,15/rA:19cCCCCCCCCCCCOOCOCOCC/rB:s1;s2;s3;s4;s5;s6;s2s7;s8;s9;s7s10;d11;s8;s7;s6;s15;d16;s5s16;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:5
ZAP Information [?]
Total:4.96702
Area:399.133
Solvation:-5.01129
Coulombic:-42.635
Bond Count [?]
All:21
Single:18
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:264.317
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.54
LogP (Chemaxon):2.04

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Descriptor Annotations

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