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
-3.1993 0.2423 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 -0.0098 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8819 0.1532 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5055 -0.1370 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7772 -1.2740 0.2027 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6481 0.6298 -0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8851 0.2137 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0216 -0.1734 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8051 0.4561 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5707 -0.6645 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1809 1.1236 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 -1.0081 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5884 0.8282 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2501 -0.6344 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0694 1.1706 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0185 -0.2375 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4260 -0.0260 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7646 -0.6527 -0.5617 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