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
-5.1056 0.5171 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9432 0.1245 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 0.6563 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4532 0.3465 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3021 -1.1393 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0790 -1.4737 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1357 -0.9076 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3606 -1.2821 -1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5971 -0.7446 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0859 -1.3434 0.5095 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2346 0.3982 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3755 0.8260 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2912 1.6654 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9709 -0.1478 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3388 1.5787 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7943 0.4722 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0936 0.6162 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9931 -0.9625 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5328 0.2983 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 1.7527 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5184 0.8554 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 0.8084 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2407 -1.5621 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2125 -1.6187 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 -2.5665 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1590 -0.9407 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0778 0.2033 -0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2018 -1.2792 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1998 -0.9092 -2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3833 -2.3953 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3226 0.4571 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1763 2.0117 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3467 2.0490 1.0774 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