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
-5.4478 -0.3819 -0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1357 0.3400 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0299 -0.6461 -0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6557 -0.0514 -0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4358 0.4466 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0538 1.0357 0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0382 0.0370 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3488 0.7786 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5125 -0.1108 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2795 -1.3027 0.2362 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8168 0.2869 0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9065 -0.5601 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3535 -0.6055 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2767 -1.0338 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2932 0.2984 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5985 -1.0693 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1548 0.6588 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0647 1.2342 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1097 -0.9548 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1892 -1.5388 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 0.7233 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9404 -0.8874 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2193 1.1142 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4553 -0.4362 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0704 1.8510 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0893 1.5265 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9786 -0.7928 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9364 -0.2977 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3804 1.5855 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3403 1.1783 1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3600 -1.1440 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9291 -0.0353 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1886 -1.2463 -1.0492 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