5283204
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6.501
5.135
3.403
7.001
6.001
7.8671
5.135
8.7331
4.269
9.5991
9.5991
3.403
10.4651
10.4651
3.403
11.3312
2.5369
11.3312
2.5369
3.403
3.403
4.269
4.269
7.4394
5.5626
7.4685
8.2656
4.7365
5.5335
8.7331
4.269
10.136
8.9885
9.3871
2.866
11.0757
10.6772
9.8546
10.2531
3.615
4.0135
11.9417
11.5432
2
10.7112
11.3312
11.9512
2
4.0135
3.615
2.7924
3.1909
4.8796
4.481
5.135
3.993
-3.373
-3.373
3.127
3.127
2.627
2.627
3.127
3.127
2.627
1.627
2.627
1.127
0.127
1.627
-0.373
1.127
-1.373
0.127
-0.373
-1.373
-1.873
-2.873
3.5654
3.5654
2.152
2.152
2.152
2.152
3.747
3.747
2.937
1.7346
1.0444
2.937
1.0193
1.7096
0.2346
-0.4556
1.0444
1.7346
-0.4807
0.2096
1.437
-1.373
-1.993
-1.373
-0.183
-0.4807
0.2096
-1.2654
-1.9556
-1.9807
-1.2904
-3.993
3
3
4
5
6
7
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
396
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
14
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0783000000000000000000000001200000000000000000000000000000000000000001A00000800000814A08002020800000600880020D2080000000020000008080100000800001200010002400004C0000800038800000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]-2-oxiranyl]deca-5,8-dienoic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
DXOYQVHGIODESM-KROJNAHFSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
320.235145
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H32O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
320.46628
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCC=CCC1C(O1)CC=CCC=CCCCC(=O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCC/C=C\CC1C(O1)C/C=C\C/C=C\CCCC(=O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
49.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
320.235145
23
2
0
2
3
3
0
0
1
1