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
-3.0056 1.9317 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4999 1.6469 1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8500 0.2600 1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7307 0.3273 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0209 -0.9589 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1082 -0.7319 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 0.2629 -0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8123 0.2035 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6812 -0.7978 1.0618 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7706 1.2750 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9016 2.3262 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8521 -2.0776 -0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0510 -3.3528 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 2.4922 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2767 1.0078 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9000 2.5844 -0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3428 1.6713 1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 2.4164 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5038 0.0306 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5958 -0.4731 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0021 1.1010 0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 0.6674 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 -1.2822 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5918 -1.7141 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5915 -0.4415 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3547 1.1769 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5987 3.1297 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2836 2.3700 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7344 -2.2700 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2465 -1.8346 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6675 -4.2606 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 -3.3646 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8266 -3.3217 -0.0949 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