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
3.0196 0.3470 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8838 0.2501 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1802 -1.0590 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1077 -0.9909 0.2609 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0422 -0.1254 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7290 0.6253 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3932 -0.0517 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2724 0.7850 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4339 -0.5473 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5458 1.2656 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4858 1.1352 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 -1.8421 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 -1.3266 -1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6387 -0.7128 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0084 1.4198 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2521 0.8278 0.2577 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