22835262
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81
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255
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5.7647
9.0582
5.9986
9.8717
7.8335
11.4344
11.0292
4.8788
10.3106
7.5347
8.8328
7.0729
9.7389
6.2068
9.7311
6.2066
7.9389
8.077
7.0889
9.7389
6.2068
7.9389
10.2749
5.2968
8.8328
7.0729
8.9466
6.1909
9.9229
5.2888
10.4751
5.2968
11.0386
4.71
10.0319
5.8729
7.1916
10.492
8.4316
7.0889
7.4725
6.4681
10.8246
4.2579
10.2306
5.2888
4.4894
8.4962
11.8185
3.7953
9.2364
6.1909
11.7176
3.5945
11.2329
4.2754
7.7012
6.6858
11.8262
3.5156
5.6651
4.7986
2.7387
11.2816
11.0142
5.6906
10.4728
2.7112
12.2605
3.0892
3.6743
9.9388
4.6696
12.7279
3.7273
2
9.286
6.5561
7.4904
11.6159
8.4043
7.4218
12.5583
8.2286
8.6223
7.1694
8.8402
6.4671
5.0623
5.0529
6.4764
9.2762
10.0342
8.322
7.3678
10.7109
10.2304
6.224
4.0887
4.0946
9.3428
8.8891
5.9536
6.9696
11.5131
10.9959
7.0914
6.9538
12.7657
13.1426
12.3509
8.704
8.6266
7.7532
4.804
5.5725
5.5584
4.7871
7.0401
6.8287
8.6568
9.1962
10.5565
9.796
8.0365
8.8144
4.2511
3.4947
3.9382
3.9242
3.4909
4.2531
7.5533
5.6241
6.0675
6.824
10.0449
10.822
10.4159
10.2545
11.1305
11.1674
6.7762
7.1823
-4.6243
-5.1783
-0.9592
-1.0278
1.5337
0.5627
0.0152
0.1242
-0.7552
-0.1724
1.4053
1.4399
1.9191
1.9399
0.877
0.9395
1.9399
0.2913
0.3984
2.9607
2.9399
2.9399
1.0382
1.4331
3.4746
3.4399
-0.2629
-0.1293
0.0689
0.3915
3.7059
3.4468
1.7464
2.6447
-0.0584
0.0153
0.7669
0.2282
4.3838
4.4814
-1.437
-1.1395
-0.3987
0.3678
4.7244
4.4884
-0.6477
-1.3383
1.0958
2.1686
5.0543
5.0092
0.0851
1.1572
4.4215
4.7533
6.0936
5.9138
3.5587
4.0323
-2.236
-1.6481
0.6102
-0.8355
5.4528
6.221
-1.4548
-0.4052
-0.591
3.0964
-1.0497
5.6247
6.4535
0.6008
5.997
1.4428
-1.8167
-1.7683
2.473
1.5461
-2.2504
-2.233
1.8806
3.3548
-3.2264
-3.2007
-4.2024
-3.9125
-5.3361
-3.9218
-5.3266
-6.1543
-4.9603
-5.855
-5.5559
-5.6965
-6.4535
-6.2942
-4.187
-5.0836
-2.4341
-1.3404
-1.9145
-1.3064
2.1575
1.551
2.9475
2.1624
1.2963
2.088
2.4649
2.9568
3.8302
3.7528
-5.8997
-5.6883
-3.5629
-3.3617
-5.5849
-4.8164
-6.1823
-6.7691
-4.6264
-4.3879
-6.4054
-6.2317
-4.4837
-4.9271
-5.6836
-3.5893
-4.3515
-4.7848
-4.9642
-6.1378
-6.8942
-6.4507
-7.0451
-6.639
-5.8619
-6.1161
-6.153
-5.277
-5.3704
-6.1475
3
3
3
3
3
3
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8
11
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18
19
23
24
38
37
19
27
28
25
31
26
32
25
26
29
33
30
34
39
40
29
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30
42
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34
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40
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42
48
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53
47
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52
56
62
61
53
59
54
60
57
58
64
63
59
65
60
66
58
65
66
69
70
62
67
68
68
70
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69
72
73
71
71
74
75
76
73
74
75
76
76
0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
6480
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
8
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
0
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
16
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371F07C3C0C000000000000000000001830000183040810304081020408000000010000001A10000000000E00A0B802420880000401C81200D0080802000020000000880100008808243688301082300025A00008A80788C8F08FC0000200001000008000040000200001000008000000
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C90H44O8Si2/c1-9-95-81(91)89-83(93)97-21-23(17-19-99(11-3,12-4)13-5)24(18-20-100(14-6,15-7)16-8)22-98-84(94)90(82(92)96-10-2)86-75-64-54-44-34-28-25-26-31-37-33-27(25)29-30(28)36-42-41-35(29)45-43(33)53-47(37)57-49-39(31)40-32(26)38(34)48(54)58-50(40)60-59(49)69-67(57)74-63(53)65-55(45)51(41)61-62-52(42)56(46(36)44)66(64)77(86)72(62)73-71(61)76(65)85(74,89)87(89)78(69)79(70(60)68(58)75)88(86,90)80(73)87/h9-16,21-22H2,1-8H3/b24-23-
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
VFJZABZKGRZCNK-VHXPQNKSSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
1308.257471
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C90H44O8Si2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
1309.47856
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCOC(=O)C12C(=O)OCC(=C(COC(=O)C3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%12=C%12C%10=C%10C9=C9C8=C4C4=C8C5=C5C%16=C%17C8=C8C%18=C%17C%17=C(C%14=C%14C%17=C%16C%16=C%17C%14=C%13C%13=C%11C3=C7C1(C2%13%17)C6=C%165)C1=C%15C2=C%12C%10=C3C9=C4C8=C3C2=C1%18)C(=O)OCC)C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCOC(=O)C12C(=O)OC/C(=C(\COC(=O)C3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%12=C%12C%10=C%10C9=C9C8=C4C4=C8C5=C5C%16=C%17C8=C8C%18=C%17C%17=C(C%14=C%14C%17=C%16C%16=C%17C%14=C%13C%13=C%11C3=C7C1(C2%13%17)C6=C%165)C1=C%15C2=C%12C%10=C3C9=C4C8=C3C2=C1%18)C(=O)OCC)/C#C[Si](CC)(CC)CC)/C#C[Si](CC)(CC)CC
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
105
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
1308.257471
100
6
0
6
1
1
0
0
1
1