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
3.0347 -0.6180 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9175 -0.3479 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2751 0.9855 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0358 0.9587 -0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 0.2077 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8176 -0.4856 1.1608 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4118 0.1893 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3488 -0.5530 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5113 -1.5813 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4907 0.1824 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4329 -1.1308 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2668 1.3853 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8511 1.7227 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 0.7966 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1154 -1.1476 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3498 -0.5640 -0.2382 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