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
-2.9587 0.1533 0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9387 -0.3087 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0470 0.5931 -0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2927 0.5595 -0.3869 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0666 -0.5712 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4516 -1.5848 -0.9509 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4555 -0.6718 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1232 0.3627 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1856 1.2194 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6565 -0.4987 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7952 -1.3732 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 1.6636 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1814 0.4271 -1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9732 -1.6096 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6287 1.3199 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1591 0.3193 0.6180 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