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
3.1202 0.3525 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -0.2172 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6951 0.2086 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5809 -0.2927 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6470 -0.9939 1.1893 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7733 0.0104 -0.4904 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0032 -0.4217 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7457 0.2461 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0208 -0.1651 0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1413 1.4436 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9774 0.1977 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8450 0.1794 1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9660 -1.3204 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8254 -0.2016 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7206 1.3075 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3553 -1.3785 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4060 1.1897 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6854 -0.1446 1.1403 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