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
-3.8887 0.0819 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9959 -0.1978 0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 0.0594 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6593 -0.8722 0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2577 -0.7313 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2905 0.6488 1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3770 1.0785 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2333 0.2420 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6561 0.1907 -0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0642 0.8051 0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5799 -0.5472 -1.5309 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9056 -0.7188 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6472 -0.2311 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9302 0.1990 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4713 -0.7976 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2971 1.0045 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3158 -1.2433 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7735 0.4741 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4226 1.1323 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7381 -0.1979 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6427 -0.6822 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0446 -1.9028 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 -1.5243 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3608 -0.9133 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4431 1.3498 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2192 0.7781 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6532 1.0634 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6994 2.1376 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2476 0.7031 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8049 -0.7721 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4272 -1.3727 -2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6992 -0.4682 -0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2810 0.4140 0.4448 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