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
-2.7810 0.9551 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9434 0.1501 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9002 0.7359 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4142 0.4006 -0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8614 -0.8898 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0837 -1.8273 -0.6591 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2044 -1.2241 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0411 -0.2355 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 2.0262 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5553 0.5620 1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9959 -0.9125 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9940 0.2832 -1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0361 1.8251 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5733 -2.2269 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7266 0.7936 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 -0.4159 0.7578 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