Monomers
Vinyl butyrate
Identifiers
IUPAC name
ethenyl butanoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InchI Key
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SMILES
CCCC(=O)OC=C
Canonical SMILES
CCCC(=O)OC=C
Isomeric SMILES
CCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
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
18 17 0 0 0 0 0 0 0 0999 V2000
-2.4292 0.9100 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0345 -0.5318 -0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7908 -0.8318 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3881 -0.0994 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 0.6781 -1.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6087 -0.2680 0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7598 0.3920 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5632 -0.1351 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2864 1.3561 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5192 0.9692 -0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9378 1.5139 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8636 -1.1204 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9264 -0.8861 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 -0.6685 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5733 -1.9247 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9807 1.3590 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2890 -1.0949 -1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4690 0.3826 -1.0825 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 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers