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
-1.3210 1.2900 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 -0.0908 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8731 -1.1847 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 -1.2528 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9118 -0.1067 0.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 0.3705 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9638 0.8345 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7914 1.5136 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1773 2.0000 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7034 1.5379 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5422 -0.1826 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5258 -0.2147 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4280 -2.1478 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3181 -1.1460 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8211 -2.0842 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3164 -1.5424 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3844 0.3558 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 1.1903 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3599 0.8602 1.1839 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