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
-2.5866 0.7641 0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -0.5146 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 -1.1358 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2082 -0.1237 0.0305 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1234 -0.2977 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -1.4452 -0.5543 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0296 0.8376 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3175 0.7460 -0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5258 1.2354 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7115 1.4039 0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3685 -1.1334 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9425 -2.0077 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2802 -1.5465 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6320 1.8056 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9426 1.6048 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7433 -0.1929 -0.6303 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