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
-2.9943 0.4434 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 0.0255 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.1019 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1673 -0.6488 -0.8681 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0338 -0.1597 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 -0.1042 1.2825 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3789 0.3023 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2002 0.7676 0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6078 1.2600 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2930 -0.0352 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 0.4936 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 -1.4301 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1293 -1.9933 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6825 0.2458 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1800 1.0929 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9453 0.8421 1.7321 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