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
-4.4139 -1.1041 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8408 -0.6955 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6286 0.1691 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9579 0.6465 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7731 1.5049 -1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2901 0.7788 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 -0.4235 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8565 -1.1651 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0490 -0.3701 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2017 0.7906 -0.3848 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1287 -0.8271 0.8346 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2556 -0.0513 1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3380 0.7528 2.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3806 -1.6166 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5965 -0.2155 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6900 -1.7450 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6211 -0.1404 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5735 -1.6061 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9361 -0.4858 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9711 1.0229 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6995 1.2824 -1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6701 -0.1755 -2.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3093 1.8888 -1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1203 2.3691 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1081 1.4698 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 0.4405 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1956 -0.0752 -1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0604 -1.0739 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0597 -2.1131 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3734 -1.5248 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0603 -0.1448 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1931 1.3644 2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5012 0.8020 2.7775 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