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
3.1823 -0.1580 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7806 -0.6148 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7680 0.5105 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6124 0.0239 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.5641 1.3379 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6540 0.1823 -0.6443 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9385 -0.2613 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8006 0.5566 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8965 -0.5647 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5916 -0.4405 -1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1995 0.9624 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7435 -1.0224 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4944 -1.4704 -0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8739 1.0863 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 1.2252 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2803 -1.2526 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8325 0.2488 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4887 1.5527 0.4220 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