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
-2.9047 0.2749 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7143 0.2111 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5010 -0.3995 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6095 -0.3866 -0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8063 -0.9285 -0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3649 -0.2957 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5346 0.3267 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6158 1.0307 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6002 0.6512 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4321 -0.6957 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9899 -0.3849 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4413 1.2213 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1472 0.2202 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7413 -1.4454 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2196 -0.9233 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7257 0.6835 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 -0.3294 1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9146 0.7997 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1133 0.3698 -0.2767 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