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
3.3042 0.5381 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3345 -0.3236 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 -0.4105 -0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0203 -0.1464 -0.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2722 -0.1300 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 -0.3644 -1.7376 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3509 0.1498 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5877 0.1679 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3368 1.2487 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1221 0.5495 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3726 -1.0002 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 0.4161 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1100 -1.3911 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1702 0.3492 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3895 0.3723 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7724 -0.0253 -1.0795 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