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
3.6917 -3.0667 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3038 -1.6406 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9046 -1.3670 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6342 0.0625 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2505 0.5376 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7991 -0.2285 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1325 -0.0551 0.3258 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0612 0.8066 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7226 1.6990 1.5957 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4844 0.7722 0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8835 -0.1388 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2795 2.0026 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 2.7894 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0662 -3.4660 -0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4646 -3.7063 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7606 -3.1023 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0399 -0.9627 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2451 -1.4034 1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 -1.5913 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2612 -2.0869 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3622 0.6828 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7025 0.3156 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 0.2188 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6107 -0.1468 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6088 -1.3611 0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1967 1.4806 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1882 -0.8482 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9074 -0.1883 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4473 2.3141 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 2.4449 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 2.2301 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 3.5558 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2965 3.4474 0.1978 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