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
-3.0318 0.8866 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9300 0.2621 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2961 -0.6382 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0008 -0.3656 -1.0151 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0871 -0.2988 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8200 -0.5074 1.0193 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4412 -0.0105 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 0.0314 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4753 0.7534 -1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5244 1.5584 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 0.4798 1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 -1.6661 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9286 -0.7534 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7038 0.1758 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4259 0.2450 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1751 -0.1526 1.3336 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