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
-4.3800 0.6489 0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3415 0.2920 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2266 1.3217 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2038 0.9452 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5679 -0.3793 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1409 -0.4111 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7894 -1.7200 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8267 -2.1629 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9715 -1.2266 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 -1.5168 -1.1879 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1480 -0.0770 0.3760 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2439 0.7649 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2763 1.7685 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8868 -0.2907 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8850 1.1706 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1972 1.2498 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8137 0.1383 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9014 -0.6806 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 1.3958 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 2.3286 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 1.7578 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6677 0.9418 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2055 -0.5673 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3488 -1.1684 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8802 0.3931 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 -0.2710 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2731 -1.6440 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0423 -2.5472 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 -3.1993 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3496 -2.1911 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1108 0.5775 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4245 1.9729 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1409 2.3859 -0.6912 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