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
2.7663 -0.9499 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5803 0.3093 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 0.8822 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2135 -0.0800 0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 0.2616 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3750 1.4643 0.6276 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 -0.6833 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4495 -0.3069 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9049 -1.5690 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7748 -1.3123 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4154 0.9832 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1515 1.2599 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0263 1.7373 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9668 -1.6929 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6882 0.6974 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2388 -1.0007 -0.0776 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