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
-5.3474 0.8081 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0979 -0.0164 -0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8854 0.6191 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6131 -0.1594 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3319 -0.3068 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 -1.0754 1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1448 -0.3848 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4162 -1.1642 0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5967 -0.4801 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 -0.6284 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4041 0.2898 0.9681 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5015 0.9623 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0219 1.0293 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7614 0.6604 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1526 1.8792 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1373 0.4993 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2858 -1.0402 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 -0.0805 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1070 0.7268 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7848 1.6481 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -1.1688 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8081 0.3691 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 -0.9646 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 0.6447 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0863 -1.1112 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1749 -2.0903 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0012 -0.3927 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2587 0.6461 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5486 -1.2609 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3820 -2.1791 0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0192 1.5353 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9258 1.6328 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6654 0.5534 -1.5249 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