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
3.0390 -0.6240 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 -0.0412 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 0.8424 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1530 0.4006 0.9111 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 0.2502 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 0.5276 -1.2684 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 -0.2127 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3164 -0.3613 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3896 -0.4656 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6514 -1.2893 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6526 -0.2455 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1925 1.9047 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6564 0.8821 1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7375 -0.4384 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9992 -0.1296 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3237 -0.6974 -0.6643 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