Monomers
2-Ethylhexyl acrylate
Identifiers
IUPAC name
2-ethylhexyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
InchI Key
GOXQRTZXKQZDDN-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C=C)CC
Canonical SMILES
CCCCC(CC)COC(=O)C=C
Isomeric SMILES
CCCCC(CC)COC(=O)C=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
2.932
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
-4.2330 1.6696 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4577 0.4507 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0423 0.5378 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2932 -0.6821 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1235 -0.7022 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 0.5089 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2026 0.5380 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0090 1.6141 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4866 2.4874 -0.8661 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3884 1.7418 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 0.8628 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7986 -1.9142 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1362 -3.2017 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8343 2.0496 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1733 2.4289 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2919 1.4201 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9209 -0.4725 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3536 0.4379 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0647 0.6743 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6158 1.4623 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8301 -1.6243 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2617 -0.6333 -1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0996 -0.7648 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3729 1.4767 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 0.5268 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9518 2.5940 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0261 0.9533 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4226 0.0010 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8535 -1.7735 -1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 -1.9098 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8995 -3.9972 0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5236 -3.1658 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4594 -3.5943 -0.8191 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 2 0
8 10 1 0
10 11 2 3
5 12 1 0
12 13 1 0
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
6 24 1 0
6 25 1 0
10 26 1 0
11 27 1 0
11 28 1 0
12 29 1 0
12 30 1 0
13 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers