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
-2.9817 0.5307 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 0.5488 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8772 0.1932 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6182 0.1886 -0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 1.2798 -0.8344 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.9646 -0.7139 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7570 -0.9871 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4348 -0.9430 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2732 0.5846 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3953 -0.4321 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4743 1.3201 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1481 -0.1846 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1482 1.5671 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1920 0.9723 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2705 -0.7834 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2801 -1.0437 -1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9948 -0.8843 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5245 -0.9622 0.4330 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