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
-2.0508 -0.8427 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7105 -0.0524 -0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2432 0.2700 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1924 1.1005 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5446 1.4174 0.2901 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5877 0.5357 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4873 -0.6958 0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1367 -1.1173 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 -1.7950 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9742 -0.2606 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3379 0.8507 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9935 -0.6669 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0927 0.8381 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3551 -0.6354 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1126 0.5615 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 2.0441 0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5242 0.8366 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3188 -1.3850 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5350 -1.0035 1.1496 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