Monomers
Allyl acrylate
Identifiers
IUPAC name
prop-2-enyl prop-2-enoate
InchI
InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
InchI Key
QTECDUFMBMSHKR-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C=C
Canonical SMILES
C=CCOC(=O)C=C
Isomeric SMILES
C=CCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.9016
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
16 15 0 0 0 0 0 0 0 0999 V2000
-2.8304 -0.4011 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8306 0.2802 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9656 1.1487 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3842 0.7611 0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 -0.4977 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0476 -1.3046 0.9046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -0.8835 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1463 -0.0464 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4394 -1.0190 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 -0.3458 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6361 0.2047 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3613 1.1527 1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0053 2.1740 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 -1.8682 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1953 -0.3084 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 0.9532 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
2 11 1 0
3 12 1 0
3 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers