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
-3.2237 0.7288 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4318 -0.5601 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9950 -0.3516 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3292 0.6434 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0028 0.8951 0.2187 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9889 -0.0508 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6743 -1.2353 0.4659 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3780 0.2308 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2801 -0.7261 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6431 1.5374 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1582 0.6231 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4496 1.0067 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8715 -1.3022 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3836 -0.9801 1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9745 0.0587 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4923 -1.3196 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3410 0.1851 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9469 1.5591 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6506 1.2546 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9724 -1.7293 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2933 -0.4678 -0.4385 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