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
-4.9700 0.7222 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3264 -0.6391 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8210 -0.5058 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2123 0.3355 -0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7288 0.5419 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0334 -0.7790 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 -0.6482 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7745 0.0062 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2604 0.0894 1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7824 0.6040 2.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1234 -0.3828 0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5085 -0.2732 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0830 0.8234 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9591 0.6244 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3551 1.4937 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0918 1.0079 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4033 -1.1741 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7272 -1.2839 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6506 -0.0190 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4432 -1.5576 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 -0.1150 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6801 1.3422 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 1.1567 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 1.1941 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -1.4540 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1886 -1.3407 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 -1.6542 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 -0.0794 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3225 1.0167 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3725 -0.5520 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0705 -1.0516 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5422 1.6157 -0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1444 0.9360 -0.0801 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