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
-3.0390 -1.1559 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7414 0.3155 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3038 0.6408 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3482 0.0184 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 0.4307 0.2992 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1073 0.0626 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0192 -0.6746 -1.3583 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3892 0.5344 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4960 0.1843 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1151 -1.2790 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9190 -1.5387 1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4721 -1.7392 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3497 0.7964 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9927 0.7158 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1939 1.7420 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0016 0.3707 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -1.0872 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 0.4038 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4299 1.1683 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4443 -0.4460 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4395 0.5370 -0.0785 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