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
-2.6646 -0.0790 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4442 -0.2823 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1668 -0.3288 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1013 0.9213 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3333 0.7257 1.4444 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5189 0.4734 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8751 -0.7495 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -0.5527 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5305 -0.5144 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9241 1.0107 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 0.5184 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5264 -1.2665 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.4387 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0966 -1.1879 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 1.7936 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 1.1702 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1805 1.3057 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8250 -0.9062 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 -1.6131 0.5978 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