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
-2.5122 0.8152 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1291 -0.6450 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 -0.9210 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3037 -0.1831 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0186 0.5892 1.1999 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6398 -0.2789 -0.1012 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 0.4252 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8862 0.2391 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6305 0.8773 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 1.2002 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1550 1.4013 0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 -1.0561 1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8699 -1.1955 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5784 -2.0043 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 -0.6716 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5138 1.0991 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1272 -0.4336 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7473 0.7426 0.5340 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