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
-3.0461 -0.5724 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8341 -0.6316 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 0.5294 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0543 0.9773 0.3219 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0673 0.1908 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0155 -0.9817 0.6207 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2916 0.6601 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -0.0729 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 0.3453 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5394 -1.3882 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 -1.5421 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 0.2161 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 1.3360 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 1.6741 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3698 -1.0802 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2217 0.3401 -1.0931 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