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
-2.1543 0.6084 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7555 -0.8256 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9316 -0.9381 -0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3070 -0.1474 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3076 1.1051 -1.1717 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -0.6670 -0.6080 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 0.1267 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1301 0.7511 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2265 0.7381 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8760 1.2059 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5674 0.9526 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2823 -1.3143 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7061 -1.3883 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8004 -1.9842 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5657 -0.4517 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2448 0.1998 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5982 0.6809 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0187 1.3479 0.4433 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