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
3.3778 0.3667 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2737 0.8184 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1584 -0.0757 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0152 0.3146 0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2217 -0.3430 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2414 -1.3063 -0.8741 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4019 0.0906 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5747 -0.5027 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1677 1.0252 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5022 -0.6882 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1551 1.8775 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 0.1548 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 -1.1370 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3289 0.9275 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4395 -0.1703 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7365 -1.3521 -0.1217 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