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
-2.4709 0.3171 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0209 0.6992 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5217 0.8848 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2280 -0.3657 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6072 -0.0757 -0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6167 -0.9500 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -0.7123 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5615 0.1893 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2048 1.0882 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 -0.6352 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4719 1.6880 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3926 -0.0640 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2595 1.1264 -1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2635 1.7064 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0085 -0.5947 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0871 -1.2269 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7221 -1.8385 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2552 -1.4065 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3928 0.1701 1.4046 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