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
-2.9655 2.4177 0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8210 0.9352 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4503 0.6815 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 -0.7691 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0356 -1.1395 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 -0.7977 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4155 0.5802 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5589 0.9195 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3675 0.0346 0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8375 2.3005 0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 2.6079 1.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0365 -2.6342 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 -3.3750 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9901 2.8942 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6432 2.6258 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3741 2.9479 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6402 0.5419 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 0.4206 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 1.3338 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7273 0.9586 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0756 -1.0602 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4828 -1.4117 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0535 -0.6517 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1717 -1.0710 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 -1.3148 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1451 3.0575 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6263 1.8816 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0838 3.6458 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0217 -2.8743 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7903 -2.8600 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0484 -2.7657 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1016 -3.9044 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6963 -4.1556 -0.0465 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