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
-3.0767 0.5222 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8116 0.0065 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6566 0.1788 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5936 -0.3164 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5587 -0.7774 1.2231 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8196 -0.2893 -0.5879 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9329 -0.7688 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6237 0.0758 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5203 -0.2814 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7505 1.3257 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8155 0.8977 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6605 0.6489 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9381 -1.0547 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 -0.4274 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5601 1.2241 -0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2469 -1.7995 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3587 1.1131 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4866 -0.2779 1.3376 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