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
-2.8093 0.9207 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5055 -0.5506 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9918 -0.7931 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4643 -0.3039 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9131 -0.4538 -1.1041 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8649 0.1256 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4605 0.8450 0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2620 -0.1393 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2304 0.3775 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0179 1.5420 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8307 1.2132 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7743 1.1835 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9895 -0.8807 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9405 -1.1584 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8467 -1.8744 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 -0.2470 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9449 -0.9644 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 0.7192 -1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5580 -0.7676 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2770 0.2006 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9423 1.0060 0.9874 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