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
-3.0748 -0.5656 1.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0441 -0.4054 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6448 0.4932 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4444 0.1801 -1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1334 0.1247 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0112 -0.1806 -1.5853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.2226 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6220 1.0827 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9138 0.8796 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 0.9373 1.8699 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0937 0.6275 -0.0535 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3221 0.4356 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6641 -0.7536 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3782 0.2767 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6408 -0.5625 2.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5886 -1.5667 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0074 -0.0257 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3399 -1.4290 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5110 0.5439 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5295 1.5539 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6349 -0.8048 -1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4102 0.9179 -2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 1.0629 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1448 -0.7244 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1278 0.6885 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1209 -1.0989 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2208 -0.9894 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1669 -0.4710 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7595 1.9195 -0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8641 1.3162 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9448 1.3149 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6398 -0.8694 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9910 -1.5795 0.8197 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