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
-3.7899 -2.0582 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3417 -0.6492 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4739 0.2611 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0879 0.4626 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3704 1.3857 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 1.7260 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9627 0.5536 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3177 1.1757 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3749 0.1658 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7733 -0.0468 -1.6074 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9409 -0.5458 0.6127 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9282 -1.4579 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2108 -1.1357 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7306 -2.0803 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4395 -2.5897 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9886 -2.5947 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6200 -0.2606 -1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3145 -0.7439 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3988 -0.1482 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9944 1.2341 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0869 0.8293 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -0.4960 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4805 1.0048 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9539 2.3477 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 2.3902 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 2.2259 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 0.0267 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6317 -0.1492 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2325 1.8311 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5901 1.7836 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6601 -2.4743 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4493 -0.0942 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9742 -1.8792 0.1820 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