Monomers
Vinyl pelargonate
Identifiers
IUPAC name
ethenyl nonanoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h4H,2-3,5-10H2,1H3
InchI Key
NWJTZFZQVYJIHU-UHFFFAOYSA-N
SMILES
CCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.4237
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
33 32 0 0 0 0 0 0 0 0999 V2000
-5.2502 -0.2673 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2942 0.1179 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8589 -0.2091 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 0.5401 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0564 0.2091 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0975 0.5753 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3464 0.2732 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2105 0.6917 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6271 0.3885 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 1.1726 0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2791 -0.7012 -0.8075 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5475 -1.0502 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4146 -0.4931 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2907 -0.1806 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0887 -1.3421 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1328 0.4053 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4142 1.1988 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5747 -0.4275 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7046 -1.2830 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 0.1323 -1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5397 1.6405 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1796 0.3190 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8339 0.7385 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9879 -0.8910 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1554 1.6173 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 -0.0643 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5214 -0.8113 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6470 0.8035 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1227 1.7735 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9695 0.1044 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9017 -1.9854 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4174 -0.9346 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2307 0.3953 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 2 3
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
7 27 1 0
7 28 1 0
8 29 1 0
8 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers