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
2.6098 0.0410 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 -0.8881 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0937 -1.0473 -0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2197 -0.0975 -0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 0.0353 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5613 -0.7511 -1.2441 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9457 1.0338 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 1.1401 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5567 0.2228 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 0.6999 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2707 -1.5016 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 -2.0716 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2299 -0.8540 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5173 1.6789 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6501 0.4920 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8802 1.8674 0.3737 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