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
-5.2207 0.8021 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4931 -0.4799 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 -0.3810 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3862 0.7322 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9618 0.9389 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1051 -0.2837 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3398 0.0060 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2142 -1.2114 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5829 -0.8383 0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0353 -1.4279 1.4328 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3544 0.0957 -0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6211 0.4906 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6516 -0.1020 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9049 1.5549 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9931 1.1552 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3159 0.6110 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9772 -1.3640 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4867 -0.6912 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0627 -0.1736 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 -1.3698 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 0.5996 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9394 1.6746 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 1.7343 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8371 1.3491 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0845 -0.5003 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5366 -1.0900 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3126 0.2749 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7329 0.8727 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2897 -1.4464 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8198 -2.1062 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8205 1.2828 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5094 -0.8888 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6519 0.1801 -0.1339 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