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
-5.1193 0.2520 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6908 -0.1890 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4178 0.5218 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1731 0.2207 -1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8365 0.4367 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3846 -0.2973 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 0.0158 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0323 -0.3196 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4248 -0.0038 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6725 0.4844 1.0170 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4954 -0.2362 -0.9603 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7663 0.0687 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5214 -0.8219 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3897 -0.4618 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8137 0.1693 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0526 1.2703 1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7745 -1.2774 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0557 0.1245 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6026 1.6276 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3097 0.2427 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2073 0.7997 -2.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1851 -0.8490 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6033 1.5429 -0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1135 0.1295 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4301 -1.4043 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9564 -0.1597 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 1.0813 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2969 -0.5852 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0130 -1.3491 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8616 0.3197 -1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1689 1.0482 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1482 -1.8166 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5095 -0.5846 0.4198 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