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
-2.7816 -0.3571 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7953 -0.1779 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0151 1.0687 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3614 0.8721 0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8462 0.2990 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0448 -0.0406 -1.5047 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2564 0.0956 -0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 0.4577 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0274 0.4209 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3758 -1.2623 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5589 -0.9559 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1226 1.5245 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 1.8129 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5682 -0.3522 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8011 0.9062 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2114 0.3210 -0.1733 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