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
5.0220 -0.2591 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3054 0.1762 -0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7940 0.2300 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 0.6673 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6943 0.7690 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0912 -0.5376 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4131 -0.4843 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8110 0.5019 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3243 0.4802 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9551 1.2100 1.4146 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0808 -0.3373 -0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4618 -0.3679 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1104 -1.1853 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 0.5482 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0598 -0.5345 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5178 -1.1507 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5344 -0.5480 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6598 1.1616 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 -0.7434 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5907 1.0239 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3772 -0.1532 -1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6454 1.5841 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2234 1.2384 -1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4446 1.4913 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3161 -1.3187 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -0.9397 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8168 -0.0989 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8319 -1.4961 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4972 1.5224 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 0.2940 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0082 0.3057 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5787 -1.8626 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1783 -1.1869 0.6113 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