Monomers
Vinyl 2-ethylhexanoate
Identifiers
IUPAC name
ethenyl 2-ethylhexanoate
InchI
InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3
InchI Key
IGBZOHMCHDADGY-UHFFFAOYSA-N
SMILES
CCCCC(C(=O)OC=C)CC
Canonical SMILES
CCCCC(CC)C(=O)OC=C
Isomeric SMILES
CCCCC(CC)C(=O)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.8895
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
30 29 0 0 0 0 0 0 0 0999 V2000
-3.3025 0.3053 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 0.8692 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.2758 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9901 0.6782 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2494 0.1964 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4588 0.6480 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3018 1.3403 1.0669 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7407 0.3306 -0.3932 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8494 0.7668 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3999 0.0734 1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2311 -1.3082 -0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4796 -1.8316 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3385 0.1950 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7127 0.9445 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8338 -0.7090 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3919 0.6653 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3043 1.9720 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3813 -0.8154 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 0.7541 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9870 0.2556 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0026 1.7740 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2771 0.6460 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2897 1.7171 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2593 0.4184 1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9791 -0.8813 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0792 -1.7128 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6209 -1.5880 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3316 -1.9388 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6714 -1.1895 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 -2.8513 -1.8568 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 2 0
6 8 1 0
8 9 1 0
9 10 2 3
5 11 1 0
11 12 1 0
1 13 1 0
1 14 1 0
1 15 1 0
2 16 1 0
2 17 1 0
3 18 1 0
3 19 1 0
4 20 1 0
4 21 1 0
5 22 1 0
9 23 1 0
10 24 1 0
10 25 1 0
11 26 1 0
11 27 1 0
12 28 1 0
12 29 1 0
12 30 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers