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
-3.0332 0.5023 -1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4314 0.0664 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 -0.1746 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2328 -0.6138 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1245 -0.8303 0.7806 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.1534 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5063 1.3161 0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 -0.0576 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8834 -1.2550 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1224 0.3017 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5052 -0.0231 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8200 1.6045 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5512 0.8495 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8924 -0.8572 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -0.9787 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 0.7169 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3311 0.2215 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7120 -1.5049 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9674 0.7600 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9324 -1.4837 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2974 -2.0992 0.5428 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