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
-2.8278 0.7924 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5367 -0.2476 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1703 -0.7421 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2110 0.0413 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1399 -0.2293 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -1.2125 0.7832 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1352 0.5477 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4119 0.2266 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8286 1.1626 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 1.3013 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3589 -0.7485 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9175 -0.6866 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 -1.7710 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7987 1.3780 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1667 0.7916 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7693 -0.6039 0.0233 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