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
-2.4379 0.5793 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 -0.7732 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8083 -0.7342 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3619 -0.0250 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 0.4632 0.9093 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5188 0.1244 -0.9814 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6009 0.7874 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5148 0.1067 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8900 0.9278 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3611 1.3359 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5064 0.4528 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -1.2953 1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 -1.3961 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0744 -0.2486 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 -1.7829 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7245 1.8550 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4279 -0.9599 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3750 0.5828 0.6720 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