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
-4.4884 1.3024 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4999 0.0318 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0448 -0.4042 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5198 -0.6309 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0975 -1.0720 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 -0.0140 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1707 -0.5763 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0696 0.4170 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4471 -0.0955 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7017 -1.2200 -0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4266 0.7031 -1.1181 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7185 0.2032 -1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5077 0.4744 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 1.8435 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6107 1.0428 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2923 1.9647 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9439 0.1908 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0450 -0.7748 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5052 0.4509 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0247 -1.3257 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1031 -1.4350 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6648 0.2690 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6695 -1.2412 1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9580 -2.0067 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5274 0.0974 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2423 0.9440 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 -0.7624 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1138 -1.5408 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6732 0.5819 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0685 1.3764 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0130 -0.3876 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5052 0.0964 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1639 1.0673 0.7137 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