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
-4.7568 0.1937 1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4896 -0.6104 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8023 0.0729 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5289 -0.5956 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9523 0.1939 -1.5522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -0.3928 -2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4053 -0.4382 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7235 0.9423 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7799 0.9048 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1761 1.9635 1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3787 -0.2773 0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3616 -0.2905 1.9283 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6376 -0.1848 1.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3897 1.1698 1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4364 -0.3268 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1896 0.4386 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8317 -1.6160 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8713 -0.6587 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5803 1.1349 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4945 0.0941 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7726 -1.6256 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8151 -0.6339 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8732 1.2378 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 0.0779 -2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6960 0.2554 -2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 -1.3969 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3263 -0.8428 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1675 -1.1223 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1331 1.5388 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8251 1.4656 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0534 -0.3906 2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4002 -0.1958 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9467 -0.0850 0.5870 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