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
-2.5816 -0.7518 -1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -0.6012 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3025 0.8957 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2997 1.0160 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 0.3489 0.8911 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7406 0.6246 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3751 1.5478 -0.9503 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.1109 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3721 -1.0795 0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 -1.4037 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5139 -1.2555 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8412 0.2229 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9983 -0.9820 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6043 -1.0633 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2738 1.3407 0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9533 1.3528 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1701 2.1048 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7320 0.5894 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5814 0.1689 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2775 -1.6465 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 -1.3179 1.2400 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