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
-3.0996 -0.3159 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6736 -0.4001 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 0.3115 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6018 0.2515 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8869 -0.3256 1.1527 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6099 0.8557 -0.6851 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8999 0.7528 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -0.2785 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5107 0.6657 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0699 -0.3599 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7391 -1.0898 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 -1.4716 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5325 0.0842 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9271 -0.2027 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 1.3932 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2808 1.5188 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2290 -1.0204 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6157 -0.3688 -0.1570 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