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
-3.1214 -0.1957 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 0.1641 0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7725 -0.2974 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6351 -0.0017 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8578 0.5520 1.2934 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6801 -0.3312 -0.6017 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0213 -0.1151 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5905 0.4376 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1317 -0.3937 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8510 0.6199 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4205 -1.1416 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5503 -0.3380 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 1.2711 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 0.2493 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9515 -1.3599 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -0.4739 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1083 0.8314 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6822 0.5228 0.6481 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