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
-3.1371 -0.0403 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 0.1978 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7335 -0.6369 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6261 -0.3206 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0246 -0.8645 -1.2930 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 0.5609 0.3844 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7337 0.7971 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8078 0.1057 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6246 -0.8618 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 -0.2417 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7369 0.8944 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4799 1.2671 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6374 -0.0042 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9662 -1.7107 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7884 -0.3698 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8123 1.6007 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7431 -0.6981 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7487 0.3249 -0.3612 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