Chemical ID: 6660912

COC(=O)CCCCc1ccc(cc1)Cc2ccc(cc2)CCCCC(=O)OC
Chemical ID:
6660912
Name [?]:
methyl 5-[4-[[4-(4-methoxycarbonylbutyl)phenyl]methyl]phenyl]pentanoate
SMILES [?]:
COC(=O)CCCCc1ccc(cc1)Cc2ccc(cc2)CCCCC(=O)OC
InChi [?]:
InChI=1/C25H32O4/c1-28-24(26)9-5-3-7-20-11-15-22(16-12-20)19-23-17-13-21(14-18-23)8-4-6-10-25(27)29-2/h11-18H,3-10,19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,7,23,6,24,8,22,5,25,10,14,18,20,11,13,17,21,15,9,19,12,16,3,26,4,27,2,28/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16,17,18)(20,21)(22,23)(24,25)(26,27)(28,29)/rA:29nCOCOCCCCCCCCCCCCCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;s25;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H32O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.9748
Area:717.134
Solvation:-3.95354
Coulombic:-39.0388
Bond Count [?]
All:30
Single:22
Double:8
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:396.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.1
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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