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
-5.5189 -0.5802 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0869 -0.2489 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2447 -0.0427 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 0.2813 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 0.4961 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4623 0.8246 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 1.0434 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7720 1.3710 -1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4936 0.3505 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9250 -0.7142 -0.1506 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7966 0.5722 -0.1024 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6288 -0.2321 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4114 -1.4169 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0300 -0.7774 1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6203 -1.5061 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0693 0.2731 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1076 0.6921 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6951 -1.0833 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2495 -0.9770 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6755 0.8118 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 1.2037 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4666 -0.5664 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9399 -0.4337 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3674 1.2940 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7729 0.0197 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3846 1.8012 0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3071 0.2022 -2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9494 1.9245 -2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3202 1.4979 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7974 2.3530 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6407 0.1726 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4618 -1.8897 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2044 -1.9412 1.6583 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