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
-4.4932 -0.8800 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6273 -0.1053 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3272 -0.8707 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3586 -0.2182 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0175 1.1917 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 1.1706 0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8610 0.3525 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8681 0.9296 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1442 0.1285 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0672 0.4804 -1.0411 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3204 -0.9494 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4175 -1.7568 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5645 -1.6716 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0234 -0.1916 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8825 -1.5458 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2868 -1.4537 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 -0.0737 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4706 0.8904 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8551 -0.9906 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5784 -1.8769 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4407 -0.8157 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8037 -0.2296 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3906 1.6787 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9804 1.7656 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0894 0.7717 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1749 2.2369 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3112 0.4066 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6547 -0.7089 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4680 0.9457 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1213 1.9577 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3150 -2.5689 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3839 -2.3877 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8324 -0.9354 -0.7317 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