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
-4.4621 0.5992 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6573 -0.5779 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2774 -0.2269 -1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4379 0.4237 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2645 -0.4644 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4309 0.1990 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9457 0.5589 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7223 -0.6764 0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0874 -0.2948 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0052 -0.1413 1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4259 -0.0936 -0.8354 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6264 0.2535 -1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7580 0.4810 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3038 0.1779 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9434 1.1122 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8841 1.2912 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1937 -1.0340 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6652 -1.3505 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7917 -1.1687 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3584 0.4144 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4428 0.6420 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8524 1.3875 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8204 -1.4393 0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2870 -0.6119 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8997 1.0775 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -0.5491 2.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 1.3032 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5363 1.0131 2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8371 -1.3224 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1770 -1.2651 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6015 0.3487 -2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9811 0.4409 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6411 0.7564 -1.3707 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