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
2.7681 0.6239 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5697 -0.2688 0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2132 -0.2541 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0298 -1.1433 -1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0721 -0.7010 -0.2944 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7065 0.5177 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2684 1.3154 -1.2916 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 0.8846 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2549 -0.0059 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6424 0.0899 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9589 0.7381 1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 1.5602 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6699 0.0867 1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7517 -1.3128 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 -0.5840 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9795 0.7693 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2906 -2.1622 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2069 -1.2596 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3508 1.8356 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7825 -0.9619 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0915 0.2322 1.9417 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