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
2.8806 1.2618 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8383 0.7499 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4395 -0.6434 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1518 -0.8354 0.4257 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0130 -0.4028 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9568 0.2309 -1.2166 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2845 -0.6769 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4255 -0.2653 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4673 0.6359 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1421 2.2922 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2612 1.3913 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4784 -1.1534 -1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1531 -1.2106 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3493 -1.2200 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3839 -0.4377 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3993 0.2837 -0.9412 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