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
2.3208 2.4583 1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3871 1.3981 1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8784 0.0241 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4388 -0.0175 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9155 -1.3641 -0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7123 -1.8146 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -0.8443 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6670 -1.3030 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7387 -0.2992 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4777 0.9030 0.5377 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9995 -0.6414 -0.1457 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0371 0.2693 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9399 0.5412 0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3750 2.0233 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1975 2.7130 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5941 3.3966 1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2856 1.5895 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7409 1.4308 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7584 -0.6657 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0973 -0.3541 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3301 0.1853 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7096 0.7820 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7283 -2.1142 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5785 -1.2817 -1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -2.7496 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9322 -2.1160 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 0.1798 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7142 -0.7692 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0199 -2.2929 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4304 -1.3721 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0648 0.7671 -1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9586 0.0749 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7182 1.2634 0.3063 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