72385
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5
255
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14.1244
12.3923
11.5263
9.7942
8.9282
7.1962
6.3301
4.5981
3.732
2
15.8564
15.8564
14.9904
16.7224
14.9904
16.7224
14.1244
17.5885
14.1244
17.5885
13.2583
14.9904
13.2583
14.9904
14.1244
13.2583
13.2583
12.3923
11.5263
10.6603
10.6603
9.7942
8.9282
8.0622
8.0622
7.1962
6.3301
5.4641
5.4641
4.5981
3.732
2.866
2.866
16.0685
16.467
15.6444
15.2458
14.7783
14.3798
16.9345
17.333
15.2024
15.601
16.5104
16.1119
13.9123
13.5138
17.8005
18.199
18.2085
17.5885
16.9685
12.7214
15.5273
12.7214
15.5273
13.0463
12.6477
13.4704
13.8689
12.6044
13.0029
11.3142
10.9157
10.4482
10.0497
10.8723
11.2708
10.0063
10.4048
8.7162
8.3176
7.8501
7.4516
8.2742
8.6728
7.4082
7.8067
6.1181
5.7196
5.252
4.8535
5.6762
6.0747
4.8101
5.2087
3.52
3.1215
2.654
2.2554
3.0781
3.4766
2
5.31
3.31
0.81
-1.19
-3.69
-5.69
-8.19
-10.19
-12.69
-14.69
11.31
12.31
10.81
12.81
9.81
13.81
9.31
14.31
8.31
15.31
7.81
7.81
6.81
6.81
6.31
4.81
3.81
2.31
1.81
0.31
-0.69
-2.19
-2.69
-4.19
-5.19
-6.69
-7.19
-8.69
-9.69
-11.19
-11.69
-13.19
-14.19
10.7274
11.4177
12.8926
12.2023
11.3926
10.7023
12.2274
12.9177
9.2274
9.9177
14.3926
13.7023
9.8926
9.2023
13.7274
14.4177
15.31
15.93
15.31
8.12
8.12
6.5
6.5
5.3926
4.7023
3.2274
3.9177
1.7274
2.4177
2.3926
1.7023
0.8926
0.2023
-1.2726
-0.5823
-2.7726
-2.0823
-2.1074
-2.7977
-3.6074
-4.2977
-5.7726
-5.0823
-7.2726
-6.5823
-6.6074
-7.2977
-8.1074
-8.7977
-10.2726
-9.5823
-11.7726
-11.0823
-11.1074
-11.7977
-12.6074
-13.2977
-14.7726
-14.0823
-15.31
8
8
8
8
8
8
19
19
21
22
23
24
21
22
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24
25
25
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
520
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
10
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
35
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F07C3C00000000000000000000000000000000000000300000000000000000010000001A00000800000C04A098023206800006008002204200000208002020000888000608880D362284311A823820A4C0110BA80780C0E00E20000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
FBWNMEQMRUMQSO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
616.418648
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C33H60O10
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
616.8235
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
103
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
616.418648
43
0
0
0
0
0
0
0
1
1