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
-4.5423 0.6031 1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4602 0.5965 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3446 -0.3544 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 0.1274 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9418 -0.8162 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4329 -0.4882 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8160 0.8838 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 1.3372 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2791 0.4779 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1526 -0.5483 -1.1227 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5945 0.7960 -0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6714 0.0318 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 -0.9586 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6106 0.7704 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 -0.3559 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9424 1.4464 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2781 1.6121 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4016 0.1921 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2104 -0.3378 -1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5727 -1.3561 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1526 0.1766 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8653 1.1384 -0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9585 -0.8800 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2016 -1.8543 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4711 -0.4997 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 -1.2704 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0397 1.5872 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7401 0.8741 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1789 1.4559 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3342 2.3479 -0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1575 0.2842 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5430 -1.1603 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8974 -1.5578 0.0178 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