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
-2.4518 0.6304 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9016 0.0051 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 -0.9131 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 -0.1590 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2845 1.0747 -0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5411 -0.7860 -0.3899 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5891 -0.1140 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5568 0.4505 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9748 1.5873 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2981 -0.1033 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5633 0.7402 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6396 0.7855 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7153 -0.6509 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0987 -1.6930 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3989 -1.3534 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 -0.0752 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3633 0.9666 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5139 0.3768 0.7715 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