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
1.1559 2.0179 2.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4159 1.0308 1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 -0.3049 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8421 -0.5954 -0.1001 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3858 -0.7090 -0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3964 -0.5457 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5270 -1.0156 -2.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7482 -1.1075 -2.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6777 2.9670 2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1889 1.8929 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 1.1593 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 -0.2956 1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 -1.0423 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3272 -1.1577 -2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9177 -1.3272 -3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6236 -0.9670 -2.0305 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