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
-4.3670 1.2243 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4485 0.0059 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0974 -0.2337 -1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0299 -0.4674 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7480 -0.6915 -1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4430 -0.9476 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 0.2286 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8354 0.0614 1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0975 -0.1236 0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3472 -1.2896 0.4521 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0138 0.8622 0.6637 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1911 0.7125 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3278 0.3799 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2631 0.8817 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2378 1.8710 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4751 1.8441 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7572 -0.9081 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1619 0.1760 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8342 0.6182 -2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1913 -1.1176 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9840 0.4975 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 -1.3070 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 0.2396 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8530 -1.5688 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3236 -1.8783 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3231 -1.0424 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2739 0.4039 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7867 1.1269 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 -0.8169 2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8699 0.9346 2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1907 0.8723 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2342 0.2644 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3267 0.2189 1.6096 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