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
-3.5105 2.0941 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9686 0.7010 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9110 -0.2025 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 -0.3114 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6715 -1.2336 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4314 -1.2723 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5807 -2.1431 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2064 -1.6773 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7023 -0.2726 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 0.6366 0.7218 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 0.0217 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5135 1.2613 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9231 2.4291 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1492 2.8558 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 2.3057 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6592 2.2757 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4220 0.1878 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7875 0.7262 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5541 0.1036 1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3467 -1.2178 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3184 0.6582 -0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1131 -0.7587 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3467 -0.9470 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -2.2908 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7230 -0.2242 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0318 -1.6405 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2397 -3.2104 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3318 -2.0943 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 -2.3088 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4871 -1.6614 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6094 1.3440 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8829 2.5377 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5416 3.3282 -0.0240 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