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
3.0148 0.7538 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8276 0.5631 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3112 -0.7989 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0847 -1.0159 0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.2866 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0031 0.6125 -1.0947 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 -0.4960 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3863 0.2275 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6405 -0.0744 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4360 1.7438 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2682 1.4360 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2147 -0.9767 -1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 -1.5387 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 -1.2622 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3357 0.0998 0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3463 1.0130 -0.5663 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