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
-3.1130 0.5577 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8693 -0.2579 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7006 0.4659 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 -0.2479 -0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5683 -1.3391 0.2586 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8027 0.2292 -0.7921 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0100 -0.4186 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7898 -0.2417 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 1.4833 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5974 0.8037 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8512 -0.0136 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9551 -1.2874 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7395 -0.4359 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 0.6339 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6700 1.4857 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3304 -1.1162 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4712 0.4535 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7116 -0.7548 0.5653 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