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
-4.7545 1.2242 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6303 0.3601 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8333 -0.1596 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6872 -1.0304 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7134 -0.2819 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4195 -1.1979 1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1868 -1.7172 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 -0.6894 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8198 0.1503 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0779 -0.0083 0.9724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 1.1642 -0.9369 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4087 1.9336 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6612 1.5699 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2615 2.0943 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4776 1.5172 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2413 0.6366 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1295 -0.4381 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0135 0.9319 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5115 -0.7723 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 0.7152 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0090 -1.9648 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1184 -1.2869 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2371 -0.0020 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 0.5812 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 -0.6905 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0030 -2.1034 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9996 -2.3802 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5477 -2.3780 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3978 -1.2404 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 -0.0962 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 2.8305 0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3630 2.1873 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9699 0.6622 -0.6914 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