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
-5.0886 0.1310 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4777 0.7520 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0648 0.1738 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2710 0.5252 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8699 -0.0149 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 0.5611 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2644 0.0369 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0909 0.3790 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4516 -0.1628 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7405 -0.7853 -0.9021 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 -0.0231 1.0866 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7137 -0.5573 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6098 0.1803 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7343 0.6701 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1985 0.1206 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7193 -0.9109 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0493 0.4200 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4425 1.8652 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 -0.9037 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 0.6182 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7724 0.0317 1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 1.6081 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 0.1659 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -1.1285 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6718 0.2351 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1374 1.6560 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2753 -1.0638 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7322 0.4650 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6577 -0.1583 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 1.4781 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9874 -1.5610 1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3618 1.1792 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6070 -0.1756 -0.0122 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