Chemical ID: 6047106

CCCCCCCCC=CCCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C
Chemical ID:
6047106
Name [?]:
(4-methyl-2-oxo-chromen-7-yl) octadec-9-enoate
SMILES [?]:
CCCCCCCCC=CCCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C
InChi [?]:
InChI=1/C28H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)31-24-19-20-25-23(2)21-28(30)32-26(25)22-24/h10-11,19-22H,3-9,12-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,22,23,26,31,25,21,24,30,18,27,19,28,20,29/rA:32nCCCCCCCCCCCCCCCCCCOOCCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;d22;s23;s24;d25;s26;d27;s27;d24s29;d21s30;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H40O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:17.0371
Area:803.192
Solvation:-3.04269
Coulombic:-41.1787
Bond Count [?]
All:33
Single:26
Double:7
Rotors:17
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:440.615
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:8.5
LogP (Chemaxon):8.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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