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
-3.1685 0.2525 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2649 -0.7641 -0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8906 -0.7783 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 0.5759 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 0.6282 0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1160 -0.1293 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9624 -0.9565 -1.1692 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4275 -0.0298 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6919 0.8091 1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8242 1.2818 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1185 0.0437 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2065 0.0865 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1740 -0.5398 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7604 -1.7473 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 -1.5873 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9737 -1.0148 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8808 1.2833 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2860 0.9115 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2455 -0.6548 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9399 1.4637 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6724 0.8658 1.8115 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