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
-3.1068 0.0514 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7296 -0.5742 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7675 0.3473 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 -0.1365 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9989 -1.0976 1.0819 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 0.4609 -0.4493 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8650 -0.0122 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7538 0.4899 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9968 1.1579 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7253 -0.2069 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5918 -0.2841 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4584 -0.6283 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7214 -1.5999 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8678 1.3480 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1366 0.4654 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0968 -0.8006 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7782 0.0921 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4291 1.2706 1.0538 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