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
-4.6532 -0.6564 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8840 0.6323 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6305 0.5655 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -0.5280 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4898 -0.7303 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3932 0.4772 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 0.9178 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 -0.1451 1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8037 -0.5088 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7881 -1.3162 -0.4344 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0263 0.0230 0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2142 -0.2900 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5788 0.4603 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3510 -1.3502 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6264 -1.1810 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7484 -0.4358 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5163 0.8019 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4835 1.4789 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1375 1.5726 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9150 0.4523 -1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5473 -0.2783 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 -1.4550 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 -1.5792 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -1.0116 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0495 1.3391 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3378 0.2356 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 1.2121 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4536 1.8053 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9274 -1.0662 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.1661 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8338 -1.1232 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9630 1.3011 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5099 0.2143 -1.2527 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