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
-1.9250 -0.8049 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7310 -0.5305 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0504 0.8000 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3109 0.8597 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1807 -0.1273 -0.7338 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4813 -0.2841 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8893 -0.0294 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1906 -1.8867 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9910 -0.6682 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7741 -0.2084 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2005 -1.3467 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7522 -0.4839 -1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8751 0.8940 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7013 1.6237 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7533 1.8457 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2972 0.8307 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1975 -0.6372 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1742 0.3238 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 -0.1704 1.1805 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