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
-1.9105 -0.9775 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4331 0.4401 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7137 1.2541 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2480 1.3012 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3823 0.0454 -0.2216 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 -0.0207 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3360 1.0692 0.1981 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4813 -1.2799 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 -1.2998 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0392 -1.0603 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5633 -1.1819 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7210 -1.6970 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2776 0.8868 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5410 0.4521 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8622 0.8189 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1835 2.2621 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2750 2.0414 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0933 1.7070 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9245 -2.1912 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3726 -2.1991 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2872 -0.3710 0.3899 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