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
2.0045 1.1950 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9297 -0.3066 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8579 -0.8888 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.4141 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9246 -0.7098 0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1642 -0.3436 1.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9888 0.3027 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9043 1.6852 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9761 1.5563 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2271 1.5274 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 -0.6673 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9017 -0.6977 -0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0857 -0.6173 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8821 -1.9867 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2230 -0.9101 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6546 0.6788 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4788 -0.5724 2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9801 0.6245 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6880 0.5446 -0.3960 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