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
-3.4006 -0.6418 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3341 0.4316 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9428 -0.2130 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0280 0.9265 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3701 0.5820 0.1812 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8998 -0.0965 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 -0.4004 -1.8209 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3168 -0.4526 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1808 -0.1462 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3799 -0.1236 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3418 -1.1793 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2635 -1.3371 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3211 0.9441 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4296 1.1337 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8693 -0.8048 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 -0.8541 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2001 1.5446 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2420 1.5867 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6647 -0.9741 -1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2224 -0.3865 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8046 0.3825 0.8120 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