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
3.3562 -0.0826 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3579 -0.8546 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1780 -0.3070 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0216 -0.5393 0.2773 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 -0.0881 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1864 0.5135 -1.3481 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5018 -0.2719 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5970 0.1795 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2033 -0.5518 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3109 0.9721 0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3572 -1.9336 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -0.7748 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 0.7889 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5456 -0.7844 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6230 0.7077 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5382 0.0307 0.3456 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