Chemical ID: 7979086

Cc1cccc(c1OCCOc2c(cccc2OC)\C=N/O)C(C)(C)C
Chemical ID:
7979086
Name [?]:
3-methoxy-2-[2-(2-methyl-6-tert-butyl-phenoxy)ethoxy]benzaldehyde oxime
SMILES [?]:
Cc1cccc(c1OCCOc2c(cccc2OC)\C=N/O)C(C)(C)C
InChi [?]:
InChI=1/C21H27NO4/c1-15-8-6-10-17(21(2,3)4)19(15)25-12-13-26-20-16(14-22-23)9-7-11-18(20)24-5/h6-11,14,23H,12-13H2,1-5H3/b22-14-
InChi Info:
AuxInfo=1/0/N:1,24,25,26,19,4,15,3,14,5,16,9,10,20,2,13,6,17,7,12,23,21,22,18,8,11/E:(2,3,4)/rA:26nCCCCCCCOCCOCCCCCCOCCNOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s13;d20;s21;s6;s23;s23;s23;/rC:-.1518,2.7068,-.5287;-.0027,1.2072,-.5373;.1147,.531,-1.7364;.251,-.8447,-1.745;.2707,-1.5474,-.5542;.1541,-.876,.6472;.0225,.5053,.6588;-.092,1.1683,1.8396;1.1755,1.7763,2.0963;1.103,2.576,3.3987;.8713,1.6856,4.4921;.7085,2.4568,5.5987;-.576,2.8218,6.0188;-.7319,3.6146,7.1584;.3765,4.0337,7.8635;1.6466,3.6727,7.4482;1.8163,2.8823,6.3227;3.0672,2.5312,5.9206;3.9801,3.1216,6.848;-1.759,2.3719,5.2616;-2.8899,2.9844,5.4043;-2.9576,4.1785,6.1623;.1755,-1.6423,1.9447;.3576,-3.1333,1.6534;1.3352,-1.1465,2.8108;-1.1446,-1.4253,2.6871;

Chemical Details

Atom Count
Formula:C21H27NO4
All Atoms:53
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.05217
Area:557.878
Solvation:-4.89479
Coulombic:-37.9388
Bond Count [?]
All:54
Single:47
Double:7
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:357.443
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.95
LogP (Chemaxon):4.89

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Descriptor Annotations

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