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
-4.5696 0.8717 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2795 -0.3727 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2424 -0.1057 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9272 0.3545 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3985 -0.7118 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0791 -0.3765 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9909 -0.1456 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 0.1803 0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4040 0.4321 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5951 1.5359 -0.7096 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3097 -0.5905 -0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4093 -0.4809 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5627 -0.0867 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0885 0.7770 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6783 1.0280 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1610 1.7748 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0388 -1.2310 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2241 -0.6235 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1226 -1.0755 -1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6790 0.6245 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0978 1.2883 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2435 0.5109 -1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3963 -1.6892 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 -0.8252 1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2289 -1.2324 1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2079 0.5121 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0725 -0.9939 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6758 0.7677 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1074 1.0824 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5277 -0.6349 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3179 -0.7231 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6761 0.1620 0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4171 -0.0027 -1.3466 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