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
-5.1929 -0.4648 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8153 -0.0780 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3346 -0.3353 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4626 0.4782 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0306 0.1473 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 0.8670 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.4451 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4232 1.0500 0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6970 0.5101 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8508 0.4906 -1.1203 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7378 0.0199 0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9064 -0.4806 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8086 -0.9774 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3692 0.4481 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1486 -1.0495 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4271 -1.1254 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9929 0.9993 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3775 -0.7395 -1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1247 -0.0933 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 -1.4019 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7052 1.5363 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7470 0.2271 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 -0.9659 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 0.3467 -1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1574 1.9645 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1985 0.5888 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5868 0.5901 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3815 -0.6610 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 0.7469 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4166 2.1742 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1343 -0.4937 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7041 -1.0244 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7538 -1.3944 0.8130 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