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
-3.6146 2.3032 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5013 1.9439 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7900 0.7191 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 0.2972 0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 -0.9053 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1742 -1.3358 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1523 -0.3420 1.4989 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9010 0.2023 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 -0.2234 -0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.2348 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6235 1.7722 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9144 -2.0968 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1976 -3.3254 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6050 2.3270 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6344 1.5981 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4451 3.3152 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 2.8027 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9740 1.7243 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 0.9607 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5562 -0.0463 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0749 1.1384 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0530 0.1844 1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4146 -0.7077 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 -2.2730 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 -1.6050 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0291 1.5609 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4775 1.4360 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3440 2.5298 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7266 -1.8847 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2480 -2.2939 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8524 -3.8968 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 -4.0401 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 -3.0737 -0.7116 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