5283211
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255
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10.2942
7.1962
2.866
2
10.7942
9.7942
11.6603
8.9282
12.5263
8.0622
7.1962
13.3923
13.3923
14.2583
6.3301
14.2583
15.1244
5.4641
4.5981
4.5981
15.1244
3.732
3.732
2.866
11.2326
9.3558
11.2617
12.0588
8.9282
12.5263
8.0622
6.6592
13.9292
12.7817
13.1803
14.8689
14.4704
6.7287
5.9316
13.6477
14.0463
15.7349
15.3364
5.4641
6.6592
4.0611
5.2087
4.8101
14.5044
15.1244
15.7444
3.1215
3.52
4.3426
3.9441
2.3291
0.961
-1.405
4.095
2.595
0.095
0.095
-0.405
-0.405
0.095
0.095
-0.405
-0.405
-1.405
-1.905
0.095
-2.905
-3.405
-0.405
0.095
1.095
-4.405
1.595
2.595
3.095
0.5334
0.5334
-0.8799
-0.8799
-1.025
0.715
0.715
-0.715
-0.095
-1.2973
-1.9876
-2.0127
-1.3224
0.5699
0.5699
-2.7973
-3.4876
-3.5127
-2.8224
-1.025
-1.715
-0.215
0.9873
1.6776
-4.405
-5.025
-4.405
1.7027
1.0124
2.4873
3.1776
4.405
5
6
3
5
6
11
7
8
2
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
425
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
14
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0783800000000000000000000001200000000000000000000000000000000000000001A00000800000814A08002020800000600880020D2080000000020000008080100000800141200210002500004C0000830038800000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]-2-oxiranyl]deca-5,9-dienoic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E)-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]-8-oxidanyl-deca-5,9-dienoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SGTUOBURCVMACZ-SEVPPISGSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
336.23006
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H32O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
336.46568
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCC=CCC1C(O1)C=CC(CC=CCCCC(=O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCC/C=C\C[C@H]1[C@@H](O1)/C=C/C(C/C=C\CCCC(=O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
70.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
336.23006
24
3
2
1
3
3
0
0
1
1