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
-3.8192 1.8915 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7334 0.4204 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3187 -0.1161 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5429 0.5128 0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 -0.0344 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1006 -1.5096 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2327 -2.1562 1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 -2.0247 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6018 -0.6835 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6281 -0.3767 -1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9950 0.2851 0.4373 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3918 1.5212 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6201 1.8271 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7433 2.1617 -1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9494 2.4690 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9816 2.2783 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2037 -0.0995 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2971 0.0834 0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 -1.2253 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8466 0.0271 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4367 1.5927 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 0.2971 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4271 0.5314 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3729 0.2157 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 -2.0561 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6274 -1.6847 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.8898 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0334 -3.2703 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1039 -2.6398 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6894 -2.5331 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6155 2.2640 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8558 2.8046 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4155 1.1166 -0.2406 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