638072
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7
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19
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44
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1
8
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20
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49
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1
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22
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255
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14.9904
8.9282
11.5263
12.3923
8.0622
15.8564
9.7942
14.1244
13.2583
10.6603
17.5885
6.3301
18.4545
5.4641
7.1962
16.7224
19.3205
4.5981
9.7942
14.1244
17.5885
6.3301
3.732
20.1865
2.866
21.0526
2
2.866
21.9186
21.0526
14.5919
15.3889
9.3267
8.5297
12.7908
11.9938
11.1278
11.9248
16.2549
15.4579
7.6636
8.4607
13.2583
10.6603
18.056
18.853
5.8626
5.0656
16.7224
7.1962
19.719
18.922
4.1996
4.9966
14.7444
14.1244
13.5044
9.1742
9.7942
10.4142
18.2085
17.5885
16.9685
5.7101
6.3301
6.9501
3.732
20.1865
2.31
1.4631
1.69
2.246
2.866
3.486
21.6086
22.4555
22.2286
21.6726
21.0526
20.4326
-0.25
0.25
-0.25
0.25
-0.25
0.25
-0.25
0.25
-0.25
0.25
0.25
-0.25
-0.25
0.25
0.25
-0.25
0.25
-0.25
-1.25
1.25
1.25
-1.25
0.25
-0.25
-0.25
0.25
0.25
-1.25
-0.25
1.25
-0.7249
-0.7249
0.7249
0.7249
0.7249
0.7249
-0.7249
-0.7249
0.7249
0.7249
-0.7249
-0.7249
-0.87
0.87
-0.7249
-0.7249
0.7249
0.7249
-0.87
0.87
0.7249
0.7249
-0.7249
-0.7249
1.25
1.87
1.25
-1.25
-1.87
-1.25
1.25
1.87
1.25
-1.25
-1.87
-1.25
0.87
-0.87
0.7869
0.56
-0.2869
-1.25
-1.87
-1.25
-0.7869
-0.56
0.2869
1.25
1.87
1.25
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
578
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
15
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0780000000000000000000000000000000000000000000000000000000000000000001800000000000C008000000200000000008002204200000000002000000008000000080000020001000000000080000800020000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
YYGNTYWPHWGJRM-AAJYLUCBSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
11.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.391252
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C30H50
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.718
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.391252
30
0
0
0
4
4
0
0
1
1