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
-2.6245 2.4402 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5946 1.4248 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0037 0.0449 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2835 -1.1180 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0974 -1.4778 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2552 -0.6844 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4051 0.5742 0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 1.4165 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3195 1.0324 -1.0028 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5553 2.7470 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5491 3.5527 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2968 -2.8624 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6175 -3.8844 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4947 2.4883 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8815 2.1445 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1667 3.4488 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5352 1.6208 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6639 1.7712 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1003 -0.0283 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1798 0.0005 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9125 -2.0693 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4714 -1.2070 -1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 -1.7372 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -0.7001 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1899 -1.2690 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7970 3.0691 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6830 4.5330 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3064 3.2036 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -3.1580 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1081 -2.6886 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4937 -4.1203 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9374 -3.6483 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 -4.8595 0.0100 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