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
-4.8105 0.2308 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5089 -0.6526 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0454 -1.0926 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 0.1636 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7134 -0.1630 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0226 1.1852 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4634 1.0363 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9186 0.3160 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4159 0.2390 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1520 0.4544 -1.6774 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0824 -0.0647 0.5049 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4568 -0.1218 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1060 -1.2343 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4237 1.2481 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9350 0.2480 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4383 -0.2455 -1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1898 -1.5352 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6478 -0.0275 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7755 -1.7161 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9195 -1.6325 1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4192 0.6998 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4661 0.7808 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4477 -0.7556 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 -0.6979 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4003 1.6490 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3562 1.8083 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9218 2.0417 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7990 0.4790 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 0.7860 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5598 -0.7440 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0087 0.7627 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6356 -2.1750 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1969 -1.2704 0.3639 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