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
-3.3838 0.3090 1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 -0.4156 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0612 0.1071 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0918 -0.5797 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1865 -0.0333 -0.2731 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2915 -0.4689 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1169 -1.3567 -1.8539 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6079 0.0901 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7861 1.0204 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0792 -0.4573 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9443 1.1250 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7757 0.7429 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4301 -1.5137 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 -0.2385 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 -0.0719 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0085 1.2024 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 -0.3260 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0984 -1.6741 -0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4610 -0.2566 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 1.4215 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9370 1.3739 0.7505 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