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
-2.3508 -0.6657 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1389 0.4983 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8365 1.1556 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2464 0.1258 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0124 -1.0475 -0.6807 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5744 0.4363 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 -0.5360 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8142 -0.2173 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 -1.6085 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4641 -0.7515 1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2621 -0.4550 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9995 1.2054 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1200 0.1232 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6593 2.0377 -0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7904 1.4393 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2579 -1.5244 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 -0.9932 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0837 0.7775 0.2939 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