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
5.0502 1.3489 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6344 1.1714 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -0.2252 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2274 -0.5654 0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9159 -0.5492 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 0.6442 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0851 0.2806 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0381 -0.2666 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3693 -0.5617 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5651 -0.3486 -1.6173 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3826 -1.0739 0.3619 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6401 -1.3856 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6366 -0.5244 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2885 0.4005 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0579 2.1674 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7977 1.4962 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5589 1.9124 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9622 1.4360 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3034 -0.3388 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8249 -0.9316 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1934 0.0651 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 -1.6090 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -1.3685 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1856 -0.9525 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7754 1.1447 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1344 1.4158 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8817 -0.5009 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5085 1.1679 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1841 0.4677 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6829 -1.2318 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8137 -2.3777 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5978 -0.7784 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4326 0.4712 0.2570 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