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
-3.3877 1.7780 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4143 0.6466 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8647 0.1967 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.9182 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3037 -0.6048 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1304 0.5123 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8001 1.0780 1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2558 0.9493 -0.4088 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0645 1.9870 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0978 1.7763 0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -1.7993 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5659 -2.9661 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3883 1.3454 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4159 2.4447 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0192 2.3382 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 1.0306 -1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9948 -0.1740 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5130 1.0095 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7619 -0.2282 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -1.3144 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4280 -1.7626 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0813 -0.2842 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8611 2.9831 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7447 2.5707 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3551 0.7795 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -1.4594 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 -2.0825 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -3.5044 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 -3.6713 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -2.6563 -1.9564 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