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
-2.0469 -0.7538 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 0.5512 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0313 1.4940 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2312 0.9641 0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8193 0.1456 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2082 -0.1187 -1.2481 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 -0.4435 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6780 -1.2195 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 -1.1954 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9356 -1.4133 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1305 0.9700 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 2.2885 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9723 2.0786 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7115 -0.2668 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1144 -1.4063 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6413 -1.6746 -0.7843 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