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
-2.9374 0.8415 -0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0205 -0.0773 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1091 -0.4820 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2075 -0.1914 0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2707 -0.4686 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0238 -0.9807 1.9751 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6120 -0.1690 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8335 0.3594 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0493 1.3021 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6015 1.1399 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9130 -0.5301 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2325 -1.5821 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3342 0.0543 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4353 -0.3820 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0020 0.5746 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8127 0.5916 -1.1082 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