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
-4.8814 -0.2949 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 0.4601 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0544 -0.0568 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9690 0.0613 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7157 -0.5099 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4841 -0.4679 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8414 0.9062 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0304 0.8755 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2508 0.3595 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2075 0.1347 -0.5511 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3946 0.1450 1.3936 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5592 -0.3167 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8259 -0.6345 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8934 0.0951 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9728 -1.3727 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1522 -0.1418 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3888 1.5386 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1169 0.2806 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7181 0.5703 -2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0971 -1.1318 -1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2049 -0.4626 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8001 1.1261 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9187 -1.5786 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5289 0.0131 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 -1.0640 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3034 -0.9653 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0339 1.5952 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0023 1.3873 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8823 0.1655 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2520 1.8580 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3850 -0.4315 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1944 -0.5993 -1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8561 -0.9924 -0.5948 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