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
3.3333 -0.3310 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4169 -0.3672 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1659 0.3859 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 -0.4506 -0.0652 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 0.1966 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2613 1.4471 0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4606 -0.5452 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6011 0.0914 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2360 0.2323 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2471 -0.8923 0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5937 -0.9537 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0286 1.1609 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1431 0.9090 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4868 -1.6209 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5584 -0.4262 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6056 1.1639 0.3358 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