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
-2.6265 0.5141 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9986 -0.0953 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -1.2994 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1757 -1.1191 0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9663 -0.1444 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 0.5600 -0.8724 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3495 0.0866 0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0422 1.0366 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2334 1.3896 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5111 0.1038 -1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1169 0.3191 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2724 -1.5992 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5513 -2.1655 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8537 -0.4920 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5903 1.6568 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0765 1.2480 0.0056 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