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
-5.1262 1.9079 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4360 0.5691 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9644 0.7583 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2465 -0.5580 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7705 -0.3440 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0469 -1.6596 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4171 -1.5170 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0935 -0.7549 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5359 -0.5800 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0888 -1.0485 0.8864 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3127 0.1022 -1.0449 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6678 0.2473 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0866 1.2920 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0173 2.3096 -1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6238 2.6275 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1838 1.8756 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9266 -0.1183 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4832 0.0931 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 1.3139 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4636 1.3592 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7096 -1.2192 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2799 -1.1025 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 0.2565 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 0.2195 1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2092 -2.2694 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5852 -2.2312 1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4775 -0.9646 1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8750 -2.5063 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 0.2729 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9204 -1.2954 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3619 -0.4922 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3866 2.0207 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1335 1.4356 0.0553 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