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
-3.1427 2.0133 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8530 0.7003 -1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3761 -0.3512 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1278 0.1977 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5073 -0.7110 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7345 0.0491 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5416 0.2292 0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7496 0.8661 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1817 1.3263 1.4737 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4855 0.9867 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6659 1.5950 -0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0938 -1.9843 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5431 -2.9710 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0533 2.4938 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2747 2.6901 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2453 1.8743 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8016 0.3760 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1068 0.8567 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1632 -0.5748 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 -1.2334 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 0.4077 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3577 1.1750 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1706 -0.8729 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2370 -0.4921 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 1.0458 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0856 0.5802 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2082 1.6838 -1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 2.0183 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6134 -1.7611 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0086 -2.4632 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 -2.8888 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3000 -4.0134 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -2.8481 2.3567 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