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
2.5803 1.1311 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5180 0.3260 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2572 -0.3397 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2203 0.0256 -0.0446 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0742 -0.4086 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 -1.1909 -1.0572 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1448 -0.0180 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3650 -0.4717 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 1.5884 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7036 1.3421 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3960 0.1275 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 -0.0232 -1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.4356 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 0.6615 1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6109 -1.1392 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1259 -0.1753 1.3382 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