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
4.5894 0.8720 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 -0.5098 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2086 -0.5349 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8903 -0.0308 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4405 -0.8738 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1056 -0.4253 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0038 -0.4803 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2627 -0.0213 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4423 -0.0194 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4149 -0.3639 -1.4722 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6355 0.3933 0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8323 0.4504 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1431 1.5731 -1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1219 1.6747 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3051 0.9477 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6867 1.0378 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2243 -0.9114 -0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0466 -1.2430 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1362 -1.5998 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5319 0.0184 -2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1561 -0.2104 -1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8864 1.0449 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1978 -0.8038 1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 -1.9178 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1179 -1.1646 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1529 0.5717 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1185 -1.5298 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7207 0.1628 -0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4678 -0.7214 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0828 0.9840 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4794 -0.4106 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0809 1.5936 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5218 2.4479 -1.0320 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