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
5.2780 0.7856 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4452 -0.1192 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9810 0.2430 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1041 -0.6309 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6698 -0.2738 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1497 -0.4259 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -0.0634 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1551 -0.9340 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6132 -0.6304 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1727 -1.0877 1.1533 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3566 0.1058 -0.7675 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6992 0.3852 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1241 1.4558 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1398 0.4411 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9638 1.8407 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3264 0.6355 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6852 0.0183 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5615 -1.1785 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7938 1.3229 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7212 0.0082 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3296 -1.6875 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3496 -0.4907 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0539 -0.8225 -1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5448 0.8039 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 0.1230 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3004 -1.5091 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3764 1.0259 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5340 -0.1253 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 -0.8081 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -1.9848 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4173 -0.2984 -1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1634 1.7007 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4206 2.1747 0.4476 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