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
-5.1057 -1.2005 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8232 -0.8352 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6621 0.6434 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 0.9220 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1531 0.3964 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.7615 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3304 0.2633 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4565 0.6693 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7820 0.2276 -0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7640 0.5304 -1.1468 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9261 -0.4408 0.7236 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1003 -0.8695 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2982 -0.7134 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9311 -2.1847 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9201 -1.2269 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2452 -0.4519 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7437 -1.3264 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9804 -1.1941 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5226 1.1324 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5404 1.0719 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3695 0.4352 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2900 2.0103 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1641 -0.6986 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 0.8185 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0657 1.8613 -0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0103 0.2978 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2678 -0.8083 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4331 0.7816 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3226 0.1350 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4289 1.7584 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9813 -1.4096 2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5550 -0.2314 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1419 -1.1246 1.3616 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