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
-4.1655 0.7576 1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8331 0.8460 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5733 -0.5340 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4438 -0.8701 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -0.7603 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4180 0.5846 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7120 0.8670 0.7403 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8516 0.9114 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 0.6860 -1.1949 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1713 1.2234 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2685 1.2562 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8477 -1.5922 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -1.2079 -2.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0359 0.0211 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4143 1.7318 2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9024 0.3533 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0253 1.5720 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1552 1.3098 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5859 -1.1809 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5253 -0.8502 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5187 -0.1618 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5786 -1.9157 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0307 -1.4093 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0276 1.2951 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1627 0.8340 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1388 1.4089 1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2070 1.0558 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2390 1.4755 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -1.6501 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4239 -2.6497 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 -1.8899 -2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3929 -0.1838 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 -1.3335 -2.8923 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