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
-2.9407 -1.3139 -1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7062 -1.0323 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2526 -0.6623 0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8399 0.5561 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5597 0.9131 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4777 -0.1688 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2184 -0.0292 -1.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 -1.3344 0.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 -2.3148 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6491 -2.3245 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0277 2.1860 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2137 3.3817 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 -0.4229 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9897 -1.6635 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -2.1800 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4135 -0.2834 0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8907 -1.9770 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6562 -1.5282 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1251 -0.4908 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5744 1.3700 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9533 0.3231 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 1.1474 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 -3.0653 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9671 -1.5699 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3350 -3.0836 0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 2.0816 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0645 2.3559 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7122 4.2770 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2492 3.4911 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 3.3620 -0.3816 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