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
-3.0881 0.1534 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 0.4545 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2095 -0.4912 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0368 -0.9212 -0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -0.0664 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8924 1.1601 -0.7262 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3621 -0.5230 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3237 0.3451 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5655 -0.7872 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6302 0.8138 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 1.3887 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 -0.0077 -2.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8221 -1.3960 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5485 -1.5647 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2818 0.0317 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.4101 0.0968 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