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
-3.3762 0.4231 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3309 -0.0643 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1319 -0.5437 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 0.1731 -0.2809 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2345 -0.1544 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2409 -1.0748 1.1478 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4818 0.5466 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5919 0.1918 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3745 0.4809 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2697 0.7834 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3832 -0.0998 -1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9739 -1.6465 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3262 -0.4706 1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 1.3511 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 -0.6050 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5037 0.7090 0.3241 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