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
-4.8393 0.6691 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6636 -0.3054 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3644 0.4089 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2129 -0.5584 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1388 -1.3137 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0028 -2.3007 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3011 -1.6017 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5757 -0.5692 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9045 0.0476 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5457 -0.3606 0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4632 1.0254 -1.6145 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6407 1.6841 -1.5011 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5765 1.5427 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1363 0.8958 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5776 1.6223 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7110 0.2564 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6779 -0.8261 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8665 -1.0413 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1418 1.1122 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.0270 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2499 -0.0421 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4184 -1.2628 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -0.5909 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0670 -1.9291 -0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0284 -2.9440 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1151 -2.9777 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3718 -1.1184 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1552 -2.3520 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5544 -1.0076 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8103 0.2376 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8280 2.4447 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4445 0.8137 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4869 2.1481 -0.6307 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