Monomers
Butyl acrylate
Identifiers
IUPAC name
butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InchI Key
CQEYYJKEWSMYFG-UHFFFAOYSA-N
SMILES
CCCCOC(=O)C=C
Canonical SMILES
CCCCOC(=O)C=C
Isomeric SMILES
CCCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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
21 20 0 0 0 0 0 0 0 0999 V2000
-3.3927 -0.3715 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3789 0.6268 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9641 0.2314 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0439 1.3122 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 1.0720 0.1077 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0306 -0.0145 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 -0.8936 -1.0093 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4390 -0.2024 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1313 -1.2477 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0452 -0.7546 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0768 0.1330 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9392 -1.2755 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5601 1.6368 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4948 0.7358 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6826 -0.7498 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8917 0.2597 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2322 1.4418 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 2.2557 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9464 0.5414 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1594 -1.4149 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 -1.9943 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
4 17 1 0
4 18 1 0
8 19 1 0
9 20 1 0
9 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers