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
-2.7666 0.1744 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4028 -0.9279 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0737 -1.1516 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1915 -0.0654 0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0998 -0.0613 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4966 -1.0850 -0.9974 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0283 1.0566 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2637 0.9963 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0392 0.9675 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7487 0.3318 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1470 -1.7085 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1874 -1.2919 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6660 -2.1067 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7368 1.9582 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6384 0.1212 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9591 1.7997 -0.5391 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