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
-4.2889 -0.3381 -2.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4188 0.0517 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5752 -1.1184 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6882 -0.8095 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7381 0.3220 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1675 0.6421 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0665 1.7728 1.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9237 1.4962 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 0.3527 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 -0.1438 1.4095 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6580 -0.0757 -0.7104 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5561 -1.0935 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7840 -1.8235 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6507 -0.6459 -2.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7997 0.6113 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0284 -1.1131 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7414 0.8485 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0968 0.3795 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9696 -1.4103 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2007 -2.0085 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3086 -0.6084 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0397 -1.7063 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2597 1.2624 0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 -0.0027 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6438 -0.2208 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 1.0808 2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6494 2.1696 2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 2.6047 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3879 1.2284 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6011 2.3691 -0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1529 -1.3224 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5494 -2.6173 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3070 -1.7331 1.3688 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