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
-5.5602 0.9831 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5051 0.2770 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1527 0.3104 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -0.4249 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7913 -0.4567 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1076 -1.1917 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 -1.3012 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1664 0.0597 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5600 -0.0786 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1127 -1.1899 -0.4779 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3190 1.0554 -0.5356 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6173 0.9503 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5745 0.8974 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5321 0.4906 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6923 2.0459 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3486 0.9297 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4567 0.7851 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8311 -0.7557 0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2058 -0.2720 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8221 1.3274 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 0.0927 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5585 -1.4648 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8709 -0.9491 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4704 0.5840 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3001 -2.2174 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0943 -0.6630 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1065 -1.7981 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6321 -1.9076 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1650 0.6452 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 0.5782 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8614 0.9113 -2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6013 0.8146 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3766 0.9329 1.0028 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