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
-5.0085 -1.0519 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5414 0.3279 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 0.2849 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2915 -0.1345 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8285 -0.1381 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0787 -0.5311 -1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 -0.5016 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9165 0.8541 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 0.7190 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 0.2533 1.4373 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 1.0992 -0.5123 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6788 0.9991 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4106 -0.0740 -0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1251 -1.0564 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 -1.3094 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7009 -1.7889 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8357 1.0911 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0260 0.5723 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6437 1.2273 1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8962 -0.4685 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6297 -1.1222 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5188 0.6340 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7033 -0.8449 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6023 0.9180 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0001 0.1515 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 -1.5577 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2191 -0.9438 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 -1.1819 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8268 1.6441 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 1.1724 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1273 1.8375 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4299 -0.1830 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9249 -0.8980 -0.8730 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