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
-2.3588 1.2988 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2022 -0.1840 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9218 -0.7128 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 -0.1859 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3045 0.6270 1.1332 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 -0.6393 -0.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6906 -0.1779 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8691 -0.5904 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9529 1.8309 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4480 1.5187 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 1.7264 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0365 -0.6465 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3566 -0.4755 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9219 -1.8132 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -0.5488 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6850 0.5345 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 -0.2622 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8982 -1.2998 -0.9355 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