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
-1.9903 0.6986 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9351 0.7414 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7104 0.5713 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4457 0.3378 -0.6885 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5453 -0.8381 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4129 -1.6461 -0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7177 -1.1509 0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 -0.2993 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1106 0.5317 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9680 0.8374 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8561 0.9152 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5202 1.5401 -1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8828 -0.2449 -2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -2.0858 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6631 0.6161 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5632 -0.5245 1.4962 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