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
-2.2321 -0.5536 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9394 -0.9399 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3781 0.1978 -1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0870 1.4130 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8700 1.0758 0.6962 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1397 0.6110 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5761 -0.5684 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0626 0.0873 1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6974 -1.5162 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8818 -0.0760 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2136 -1.3928 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2158 -1.7419 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1439 0.4519 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5629 -0.1472 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3915 2.1664 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9826 1.8667 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7683 1.2367 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9889 -1.2528 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5367 -0.9177 0.3512 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