Chemical ID: 3965618

CC#CCC(C)C(C=CC1C(CC2C1c3cccc(c3O2)CCCC(=O)O)O)O
Chemical ID:
3965618
Name [?]:
None
SMILES [?]:
CC#CCC(C)C(C=CC1C(CC2C1c3cccc(c3O2)CCCC(=O)O)O)O
InChi [?]:
InChI=1/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,6,2,3,17,23,4,18,22,16,24,9,8,12,5,19,10,15,7,11,13,25,14,20,29,28,26,27,21/E:(27,28)/rA:29cCCCCCCCCCCCCCCCCCCCCOCCCCOOOO/rB:s1;t2;s3;s4;s5;s5;s7;w8;s9;s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s13s20;s19;s22;s23;s24;d25;s25;s11;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:6
ZAP Information [?]
Total:11.0044
Area:668.195
Solvation:-5.70045
Coulombic:-69.0395
Bond Count [?]
All:31
Single:25
Double:5
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:398.492
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.82
LogP (Chemaxon):3.78

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Descriptor Annotations

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