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
0.6370 3.0145 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8976 1.8361 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0978 0.6251 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 -0.3012 -0.0352 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0321 -1.5497 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7822 -1.8425 1.4588 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0875 -2.4529 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9063 -2.0705 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5590 3.1512 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4991 3.8610 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9653 1.7514 -1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 0.9332 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1284 0.2675 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2258 -3.4290 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7917 -1.0844 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6983 -2.7098 -1.2191 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