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
3.1243 0.4294 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 0.6555 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8495 -0.6089 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6002 -0.2224 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9339 0.9828 -0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5963 -1.1508 -0.2434 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9485 -0.9611 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5944 0.1755 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 1.4100 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4604 -0.2364 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4637 0.0583 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3771 1.3134 -0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3351 1.1634 0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 -1.2292 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 -1.2161 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5780 -1.8849 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6922 0.1853 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1433 1.1363 -0.0738 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