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
-3.1858 2.5057 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8983 1.2820 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1361 0.4897 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8078 0.0390 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0469 -0.7648 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2829 -1.1775 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 -1.9687 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3412 -2.4381 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2325 -1.3169 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3644 -1.5036 -0.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 -0.0141 0.3888 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7255 1.0582 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5657 1.4677 0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5546 2.9111 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9165 3.2525 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 2.2953 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8576 1.5907 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1841 0.6581 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9006 1.1050 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6861 -0.4180 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1741 0.9493 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9084 -0.6042 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6216 -1.6553 0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8829 -0.1028 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0308 -1.8048 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8075 -0.3288 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 -1.2898 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4079 -2.8034 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 -3.0477 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8239 -3.1366 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 1.4903 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5956 0.9947 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2238 2.2857 0.7760 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