Monomers
Butyl vinyl ether
Identifiers
IUPAC name
1-ethenoxybutane
InchI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InchI Key
UZKWTJUDCOPSNM-UHFFFAOYSA-N
SMILES
CCCCOC=C
Canonical SMILES
CCCCOC=C
Isomeric SMILES
CCCCOC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12O
Heavy Atom Count
7
Molecular Weight
100.161
Exact Molecular Weight
100.0888
Valence Electrons
42
Radical Electrons
0
tPSA
9.23
MolLogP
1.9466
H Bond Acceptors
1
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
19 18 0 0 0 0 0 0 0 0999 V2000
-2.0832 -0.2683 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1412 0.7504 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6204 0.1212 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1070 -1.1836 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1717 -0.8922 -0.1161 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2295 -0.0524 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5780 0.8304 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8471 0.2214 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5773 -0.7972 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4415 -0.9629 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3119 1.0112 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7359 1.6468 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0817 0.8506 1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4652 -0.0617 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 -1.6801 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5942 -1.8456 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7481 -0.1172 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0948 0.9352 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3970 1.4939 -0.5153 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 1 0
5 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
3 14 1 0
4 15 1 0
4 16 1 0
6 17 1 0
7 18 1 0
7 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers