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
-2.9102 0.1427 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5249 -0.3544 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7729 0.7470 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6326 0.3388 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3137 0.0131 0.5355 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6225 -0.3936 0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2630 -0.6839 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6270 0.0090 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3309 -0.4424 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9358 1.2104 1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6644 -1.2285 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0397 -0.6890 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3190 1.0253 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7332 1.6158 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1344 1.2357 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6740 -0.4574 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1619 -0.4789 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2961 -0.9998 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7598 -0.6098 -1.5837 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