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
-5.5116 -0.5140 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1542 0.1102 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0905 -0.9335 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7566 -0.3180 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3373 0.6950 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0128 1.3010 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1204 0.2779 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 0.9987 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5517 0.0195 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3811 -1.2108 0.0486 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8378 0.4426 -0.4448 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9223 -0.4186 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2682 -1.0004 -1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0080 -0.7696 -0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1447 0.2120 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3449 -1.4470 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2475 0.5941 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9944 0.9148 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 -1.5038 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3029 -1.6566 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9739 -1.0979 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 0.2591 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2315 0.1323 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0910 1.4774 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2183 2.0524 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0405 1.8212 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -0.1233 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9455 -0.5054 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2995 1.4431 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 1.8136 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5084 -0.6263 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6684 -0.7809 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1123 -1.6585 -1.6782 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