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
-5.0376 0.3725 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4404 -1.0189 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0408 -0.8968 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2745 0.0519 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 0.2061 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 1.1325 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3219 1.3356 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0620 0.0369 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4618 0.1856 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9349 1.2971 0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2392 -0.9526 0.2766 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5415 -0.9864 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5066 -0.8430 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6367 0.9051 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8173 0.9087 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1374 0.2560 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4110 -1.4244 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0808 -1.6624 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0697 -0.4382 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5449 -1.8641 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7443 1.0335 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2780 -0.4125 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9121 0.6522 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4438 -0.8088 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 0.7480 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 2.1012 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8005 2.0700 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 1.7724 0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0837 -0.4639 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5569 -0.5990 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7916 -1.1301 1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5468 -0.8679 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2830 -0.6963 -1.2602 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