183729
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255
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5.4641
6.3301
4.5981
4.9641
5.9641
7.1962
5.4641
5.4641
3.732
8.0622
2.866
4.9641
5.9641
8.9282
9.7942
5.4641
5.4641
2
10.6603
11.5263
12.3923
13.2583
14.1244
14.9904
15.8564
16.7224
17.5885
6.7287
5.9316
4.1996
4.9966
4.4892
4.4892
6.439
6.439
6.7976
7.5947
4.1306
3.3335
5.939
5.939
4.9892
4.9892
8.4607
7.6636
2.4675
3.2646
4.4892
4.4892
6.439
6.439
8.5297
9.3267
10.1928
9.3957
2.31
1.4631
1.69
6.001
5.7741
4.9272
4.9272
5.1541
6.001
10.2617
11.0588
11.9248
11.1278
11.9938
12.7908
13.6569
12.8598
13.7258
14.5229
15.3889
14.5919
15.4579
16.2549
17.121
16.3239
17.2785
18.1254
17.8985
0
0.5
-0.5
0.866
-0.866
0
-1.732
1.732
0
0.5
-0.5
2.5981
-2.5981
0
0.5
-3.4641
3.4641
0
0
0.5
0
0.5
0
0.5
0
0.5
0
0.9749
0.9749
-0.9749
-0.9749
1.2646
0.4675
-1.2646
-0.4675
-0.4749
-0.4749
0.4749
0.4749
1.3335
2.1306
-1.3335
-2.1306
0.9749
0.9749
-0.9749
-0.9749
2.9966
2.1996
-2.9966
-2.1996
-0.4749
-0.4749
0.9749
0.9749
0.5369
0.31
-0.5369
3.1541
4.001
3.7741
-3.1541
-4.001
-3.7741
-0.4749
-0.4749
0.9749
0.9749
-0.4749
-0.4749
0.9749
0.9749
-0.4749
-0.4749
0.9749
0.9749
-0.4749
-0.4749
0.9749
0.9749
-0.5369
-0.31
0.5369
1
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
252
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
0
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
22
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371F07800020000000000000000000000000000000000000000000000000000000000000018080000000008008800000200000000200000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
tributyl(tetradecyl)phosphonium
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
tributyl(tetradecyl)phosphonium
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
tributyl(tetradecyl)phosphanium
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
tributyl(tetradecyl)phosphanium
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
tributyl(myristyl)phosphonium
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
YCBRTSYWJMECAH-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
10.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
399.411963
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C26H56P+
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
399.696602
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
399.411963
27
0
0
0
0
0
0
0
1
1