23558
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8.9472
9.1972
10.0632
8.3312
10.9292
7.4651
8.6972
9.6972
11.7953
6.5991
12.6613
5.7331
13.5273
4.8671
14.3933
4.001
15.2594
3.135
16.1254
2.269
16.9914
1.403
17.8574
0.5369
10.4617
9.6647
7.9326
8.7297
7.8637
7.0666
10.5307
11.3278
9.2341
8.3872
8.1602
9.1602
10.0072
10.2341
6.2006
6.9976
12.1938
11.3967
6.1316
5.3346
12.2628
13.0598
13.9258
13.1288
4.4685
5.2656
4.3996
3.6025
13.9948
14.7919
2.7365
3.5335
15.6579
14.8608
15.7269
16.5239
2.6675
1.8705
1.0044
1.8015
17.3899
16.5929
17.5474
18.3944
18.1674
0.8469
0
0.2269
0
3.903
4.403
3.403
3.903
3.903
4.769
3.0369
4.403
3.403
3.903
3.903
4.403
3.403
3.903
3.903
4.403
3.403
3.903
3.903
4.403
3.403
3.903
3.903
4.8779
4.8779
2.928
2.928
4.3779
4.3779
3.428
3.428
5.079
5.3059
4.459
2.7269
2.5
3.3469
2.928
2.928
4.8779
4.8779
4.3779
4.3779
3.428
3.428
4.8779
4.8779
2.928
2.928
4.3779
4.3779
3.428
3.428
2.928
2.928
4.8779
4.8779
3.428
3.428
4.3779
4.3779
2.928
2.928
4.8779
4.8779
3.366
3.593
4.4399
4.4399
4.213
3.366
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
200
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
18
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371F07A0000040000000000000000000000000000000000000000000000000000000000001C00000000000800C100040200030000000000000000000000000000000000000800000000020080000400000000008000011080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
didecyl(dimethyl)ammonium;chloride
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
didecyl(dimethyl)ammonium;chloride
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
didecyl(dimethyl)azanium;chloride
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
didecyl(dimethyl)azanium;chloride
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
didecyl(dimethyl)ammonium;chloride
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
RUPBZQFQVRMKDG-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
361.347528
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H48ClN
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
362.07622
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
361.347528
24
0
0
0
0
0
0
0
2
1