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
-2.6235 0.3244 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9631 -0.1084 -0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5830 0.4668 -1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2311 -0.0281 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.5703 0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5442 0.3837 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6610 -0.1733 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0366 1.0584 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7892 -0.5576 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6069 0.8190 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5238 0.3226 -1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8990 -1.2267 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0025 0.1521 -1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6637 1.5755 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 -1.1327 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1898 0.2345 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4282 0.7009 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4874 -0.3181 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7412 -0.4765 -0.5168 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