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
-4.9174 1.1223 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7073 0.5555 1.2623 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7201 -0.0059 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.5750 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -1.1478 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0606 -0.1086 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 -0.6316 -2.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -1.2003 -1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9287 -0.1831 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5587 1.0105 -0.5591 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1265 -0.5282 -0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7882 0.4565 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7034 1.2388 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2597 0.4190 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7449 1.2116 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7512 2.1231 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0184 -0.2546 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2036 1.3479 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1874 -0.7985 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 0.8496 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8777 -1.4063 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0108 0.1705 1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -1.5665 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0804 -1.9477 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 0.2021 -1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 0.8037 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4227 -1.3989 -2.6684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1584 0.2077 -2.7222 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0185 -2.0591 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 -1.5965 -2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5152 0.5594 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2050 1.9977 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9708 1.1328 -0.8940 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