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
4.2671 -1.1256 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8332 -0.8518 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9440 0.3353 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 0.8639 -1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 1.3672 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1983 0.4750 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 -0.7381 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5135 -1.5749 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 -0.9392 0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2720 -1.6146 1.8497 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2075 0.2953 0.6544 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3237 0.8066 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5573 0.6125 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2761 -2.0197 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6010 -0.2607 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9623 -1.2959 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 -0.7421 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6069 -1.7387 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4879 1.1414 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 0.0830 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4447 0.1554 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 1.7392 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8533 2.3257 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1397 1.7684 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1247 1.1221 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2083 0.2139 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1281 -1.3759 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 -0.5150 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8768 -2.5328 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -1.9064 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1531 1.3868 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7337 0.0339 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3879 1.0214 1.3807 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