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
-3.8757 1.9252 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8252 0.8351 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5622 0.1661 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 -0.9237 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1936 -0.4653 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4452 0.5444 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6685 1.0639 0.3075 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9233 0.5961 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1733 -0.5798 0.5591 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0348 1.4791 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2629 1.0003 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5742 -1.7212 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7426 -2.5863 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3486 2.8360 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4126 2.1586 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6469 1.5658 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3187 0.0974 -1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9261 1.2954 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3391 0.9113 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5231 -0.3073 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 -1.4229 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9204 -1.6748 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3636 -0.0059 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2215 1.4615 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 0.1699 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8682 2.4916 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0920 1.5977 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4580 -0.0328 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4581 -1.6514 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1492 -2.3762 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1834 -3.1517 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0189 -1.9582 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 -3.3380 0.5857 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