Chemical ID: 5781827

CCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)C=Cc2cccc3c2cccc3
Chemical ID:
5781827
Name [?]:
[4-[3-(1-naphthyl)prop-2-enoyl]phenyl] decanoate
SMILES [?]:
CCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)C=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C29H32O3/c1-2-3-4-5-6-7-8-16-29(31)32-26-20-17-25(18-21-26)28(30)22-19-24-14-11-13-23-12-9-10-15-27(23)24/h9-15,17-22H,2-8,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,31,30,25,32,26,24,29,9,15,17,22,14,18,21,27,23,16,13,28,19,10,20,11,12/E:(17,18)(20,21)/rA:32nCCCCCCCCCCOOCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;w21;s22;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H32O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.9006
Area:735.494
Solvation:-3.48673
Coulombic:-31.1183
Bond Count [?]
All:34
Single:23
Double:11
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:428.563
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:9.13
LogP (Chemaxon):7.92

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Descriptor Annotations

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