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
-3.1225 0.5567 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6591 0.8886 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8007 -0.3690 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6244 -0.0548 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0102 1.1011 0.5064 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5550 -1.0505 0.1325 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9121 -0.8990 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6298 -0.6220 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3524 -0.4289 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6751 1.3259 0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4346 0.5360 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3892 1.3006 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3952 1.6581 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 -0.8282 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 -1.1094 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3962 -1.0080 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1542 -0.5052 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7002 -0.4920 -0.8257 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