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
-3.3415 -0.2362 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 -0.4710 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 0.3764 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0061 -0.4143 -0.1425 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2179 0.2229 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2912 1.4725 -0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 -0.5270 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 0.0660 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2615 0.5466 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2407 -0.8450 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4858 -1.2538 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2639 1.1742 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9820 0.8504 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 -1.6099 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6577 1.1278 0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5051 -0.4797 0.4674 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