Chemical ID: 6917984

CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Chemical ID:
6917984
Name [?]:
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate
SMILES [?]:
CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi [?]:
InChI=1/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,42,2,3,8,10,7,11,4,40,39,37,36,34,33,31,30,28,27,25,24,22,21,19,18,16,15,9,6,12,5,13,41,38,35,32,29,26,23,20,17,14/E:(5,6)(7,8)/rA:42nCCCCNCCCCCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H53NO11
All Atoms:95
Heavy Atoms:42
Chiral Atoms:0
ZAP Information [?]
Total:6.9235
Area:1078.72
Solvation:-20.0446
Coulombic:-97.0925
Bond Count [?]
All:42
Single:38
Double:4
Rotors:33
Chiral:0
Rigid Segments:18
Chemical Properties
Molecular Weight:603.742
H-Bond Donors:1
H-Bond Acceptors:12
XLogP:1.24
LogP (Chemaxon):0.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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