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Chemical ID: 6660912
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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