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
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
-2.1474 -1.1867 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 0.1028 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9075 0.9555 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3914 0.2624 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4344 1.1609 0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 0.8425 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1484 -0.4085 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7487 -2.0217 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6548 -1.1776 1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 -1.4504 0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1714 -0.0984 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0073 0.7037 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9280 1.3123 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9746 1.8484 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4473 0.0631 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5496 -0.6455 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5408 1.5966 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4030 -1.1752 -0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1988 -0.6842 -0.3188 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