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
-3.2388 0.1723 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1090 0.0865 -0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5320 0.5379 1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3746 -0.1882 1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 -0.1885 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0135 -0.8821 1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1504 -0.8366 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6173 0.5426 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 0.3328 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5283 0.0213 -2.0679 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0385 0.4774 -0.4649 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0682 0.2714 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3021 0.4227 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9389 -0.8370 -1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9041 0.5615 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3954 0.8709 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0367 0.6884 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4625 -0.9919 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3252 0.6043 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2900 1.6456 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7263 -1.2524 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1605 0.1693 2.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4026 -0.8016 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8792 0.8178 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 -0.3411 2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2213 -1.9237 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 -1.3596 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 -1.3477 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9951 1.1035 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8347 1.1426 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8663 0.0020 -2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5343 0.6947 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1767 0.2771 -1.5630 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