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
-2.4299 -1.3131 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 0.0441 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2451 -0.0782 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2887 1.3396 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6635 1.4203 -0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6243 0.8217 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9083 -0.4477 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -1.7816 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 -1.9488 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4958 -1.1361 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 0.5346 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2062 0.6745 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1683 -0.7383 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -0.4875 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 1.9093 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1152 1.7790 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1639 1.3880 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3642 -1.0078 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6627 -0.9722 1.1268 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