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
1.9183 0.8934 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5953 -0.4426 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -1.3682 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3842 -0.7417 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2339 -0.5055 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 0.0673 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5500 1.3298 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9035 1.2544 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 0.8824 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1717 1.6801 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9601 -0.3126 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5652 -0.9326 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6894 -2.3125 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4950 -1.6030 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9126 -1.3710 1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1501 0.2209 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3480 -0.5322 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4891 1.8321 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6541 1.9615 0.2134 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