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
-2.9312 1.1222 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9113 0.3368 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -0.4067 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1389 -0.0755 -1.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 -0.2686 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5493 -0.7551 1.0826 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4482 0.0633 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2544 -0.1411 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4436 1.6849 0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2646 1.2069 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5611 0.2340 1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 -0.1320 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3866 -1.5048 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.4768 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8659 -0.5535 1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3015 0.0884 0.8930 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