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
-3.0752 -0.3874 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8937 0.1953 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2195 0.5879 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0389 -0.0445 1.0307 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0690 0.1137 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 0.8536 -0.8722 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3693 -0.5332 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3466 -0.3717 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6032 -0.6912 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5297 -0.5667 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4415 0.3733 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8256 0.3241 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1311 1.7022 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5423 -1.1613 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3108 -0.8452 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2041 0.2481 -1.4529 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